Methods for reformulating and repositioning pharmaceutical data and devices thereof

Inventors

Nandabalan, KrishnanMEHTA, VimalMEENA, Ramkesh

Assignees

Bioxcel LLC

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Publication Number

US-10572631-B2

Patent

Publication Date

2020-02-25

Expiration Date


Abstract

A method, non-transitory computer readable medium, and pharmaceutical assessment computing device that effectively reformulates and repositions pharmaceutical molecule data. With this technology, therapeutic area data comprising a medical condition and pharmaceutical molecule data corresponding to the medical condition is obtained. The pharmaceutical molecule data comprises pharmaceutical molecule identifiers and usage data parameters with corresponding usage data values for each of the pharmaceutical molecule identifiers. Each of the usage data values is compared to a corresponding usage threshold value. Reformulation opportunities are determined for each of the pharmaceutical molecule identifiers comprising a usage data value that exceeds the corresponding usage threshold value. The reformulation opportunities comprise the usage data parameters and associated usage data values corresponding to the pharmaceutical molecule identifiers which comprise a usage data value that exceeds the corresponding usage threshold value. A pharmaceutical molecule report based on the reformulation opportunities is provided.

Core Innovation

The invention relates to an end-to-end method for pharmaceutical reformulation of a drug using a pharmaceutical assessment computing device. The method obtains therapeutic area data comprising at least one medical condition, pathogenesis parameters and associated pathogenesis values, and obtains pharmaceutical molecule data corresponding to the at least one medical condition. The pharmaceutical molecule data includes a set of pharmaceutical molecule identifiers and mechanism of action parameters with associated mechanism of action values for each pharmaceutical molecule identifier.

The method refines a number of pharmaceutical molecule identifiers for analysis by mapping mechanism of action parameters to the pathogenesis parameters using associated pathogenesis values and associated mechanism of action values. The method selects tags associated with the mechanism of action parameters and tags associated with the pathogenesis parameters to define usage data parameters, including mapped mechanism of action parameters, and usage data values including mapped mechanism of action values. The method compares each usage data value to a corresponding usage threshold value.

For pharmaceutical molecule identifiers whose usage data values exceed the corresponding usage threshold value, the method determines one or more different delivery mechanisms. The one or more different delivery mechanisms are associated with the usage data parameters and associated usage data values corresponding to those pharmaceutical molecule identifiers. The method provides a pharmaceutical molecule report based on the one or more different delivery mechanisms.

In additional processing described for the system, deviation is used between mapped mechanism of action values and pathogenesis values to define or derive usage threshold values, and efficacy values are compared to generate a reformulation benefits score and a ranked set using a predetermined ranking threshold. The system also evaluates safety threshold values to generate repositioning opportunities and provides indication/notification when safety is exceeded, and further provides indications when safety is not exceeded.

Claims Coverage

The independent claims are directed to a method, a pharmaceutical assessment computing device, and a non-transitory computer readable medium for assessing pharmaceutical data and producing pharmaceutical molecule reports. Each independent claim contains a common core set of inventive features, with additional inventive features defined in dependent claims for deviation-based thresholding, efficacy-based scoring and ranking, and safety-threshold-based repositioning and indications.

Mapping mechanism of action parameters to pathogenesis parameters using associated values and selecting tags

Define a subset of pharmaceutical molecule identifiers by mapping mechanism of action parameters to the pathogenesis parameters using associated pathogenesis values and associated mechanism of action values, and selecting tags associated with the mechanism of action parameters and tags associated with the pathogenesis parameters to define usage data parameters and usage data values including mapped mechanism of action values.

Comparing usage data values to usage threshold values

Compare each of the usage data values to a corresponding usage threshold value.

Determining delivery mechanisms for usage-exceeding pharmaceutical molecule identifiers

Determine one or more different delivery mechanisms for each pharmaceutical molecule identifier from the subset comprising a usage data value that exceeds the corresponding usage threshold value, where the one or more different delivery mechanisms are associated with the usage data parameters and associated usage data values corresponding to the pharmaceutical molecule identifiers from the subset.

Providing a pharmaceutical molecule report based on delivery mechanisms

Provide a pharmaceutical molecule report based on the one or more different delivery mechanisms.

Deviation-based usage threshold definition

Generate deviation values between mapped mechanism of action parameters and corresponding pathogenesis parameter values, and set a usage threshold value based on those deviations.

Efficacy comparison and reformulation benefits score

Compare usage data values with corresponding efficacy values and generate a reformulation benefits score based on deviations between the compared values, included in the pharmaceutical molecule report.

Ranking delivery mechanisms using a predetermined ranking threshold

Rank the one or more different delivery mechanisms based on the generated reformulation benefits score and include only those ranked higher than a predetermined ranking threshold in the pharmaceutical molecule report.

Safety-threshold-based repositioning opportunities

Compare each usage data value to a corresponding safety threshold value and determine one or more repositioning opportunities for each identifier whose usage data value exceeds the corresponding safety threshold value, using a repositioning framework based on therapeutic area data.

Indications for safety threshold non-exceeding identifiers

Provide an indication for each pharmaceutical molecule identifier whose usage data value does not exceed the corresponding safety threshold value.

Across the independent claims, the inventive approach centers on mapping mechanism of action parameters to pathogenesis parameters using associated values and tags, producing usage data, comparing usage data values to usage threshold values, determining one or more different delivery mechanisms for identifiers exceeding the thresholds, and providing a pharmaceutical molecule report. Dependent claims further add deviation-based threshold definition, efficacy-based scoring and reformulation benefits score generation with ranking using a predetermined ranking threshold, and safety-threshold-based repositioning opportunities with indications.

Stated Advantages

Documented Applications

Classifying pharmaceutical molecules for reformulation and repositioning using therapeutic area data and pharmaceutical molecule data, including an example for Multiple Sclerosis and determination of reformulation opportunities and repositioning opportunities.

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