Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 5/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11879283 | 0.98 | ALDH1A1 (0.53) | ALDH1A1POLBTSHRCYP3A4THRB | |
| SCHEMBL437529 | 0.84 | ALDH1A1 (0.66) | ALDH1A1POLBTSHRCYP3A4THRB | |
| SCHEMBL879015 | 0.83 | ALDH1A1 (0.54) | ALDH1A1POLBTSHRCYP3A4THRB | |
| SCHEMBL99833 | 0.83 | TSHR (0.65) | ALDH1A1POLBTSHRCYP3A4THRB | |
| SCHEMBL8246414 | 0.81 | ALDH1A1 (0.53) | ALDH1A1POLBTSHRCYP3A4THRB | |
| SCHEMBL31118863 | 0.81 | ALDH1A1 (0.53) | ALDH1A1POLBTSHRCYP3A4THRB | |
| SCHEMBL5794414 | 0.81 | TSHR (0.63) | ALDH1A1POLBTSHRCYP3A4THRB | |
| SCHEMBL29514652 | 0.79 | TSHR (0.67) | POLBTSHRHPGDSRD5A2 | |
| SCHEMBL110094 | 0.79 | TSHR (0.67) | POLBTSHRHPGDSRD5A2 | |
| Potassium Ion SCHEMBL5794413 | 0.79 | ALDH1A1 (0.51) | ALDH1A1POLBTSHRCYP3A4THRB |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1725548-B1 | PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF ASPARTIC ACETAL CASPASE INHIBITORS | VERTEX PHARMA (US) | 2015-01-14 | — | — | EP | disclosed |
| EP-2399915-B1 | Process and intermediates for the preparation of aspartic acetal caspase inhibitors | VERTEX PHARMA (US) | 2014-12-17 | — | — | EP | disclosed |
| EP-2399916-B1 | Process and intermediates for the preparation of aspartic acetal caspase ihnhibitors | VERTEX PHARMA (US) | 2014-12-10 | — | — | EP | disclosed |
| CN-103467459-A | Processes for preparing compound | VERTEX PHARMA | 2013-12-25 | — | — | CN | disclosed |
| CN-102225936-B | Processes for producing compound | VERTEX PHARMA | 2013-09-11 | — | — | CN | disclosed |
| US-20130066083-A1 | PROCESSES AND INTERMEDIATES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-03-14 | — | — | US | disclosed |
| US-8293929-B2 | Processes and intermediates | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-23 | — | — | US | disclosed |
| EP-2399916-A1 | Process and intermediates for the preparation of aspartic acetal caspase ihnhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-12-28 | — | — | EP | disclosed |
| EP-2399915-A1 | Process and intermediates for the preparation of aspartic acetal caspase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-12-28 | — | — | EP | disclosed |
| CN-102225936-A | Processes for producing compound | VERTEX PHARMA | 2011-10-26 | — | — | CN | disclosed |
| CN-1950364-B | Process and intermediates for preparing aspartate acetal caspase inhibitors | VERTEX PHARMA | 2011-06-08 | — | — | CN | disclosed |
| US-20110071298-A1 | Processes and Intermediates | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-24 | — | — | US | disclosed |
| US-7834200-B2 | Processes and intermediates | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-11-16 | — | — | US | disclosed |
| US-20090048429-A1 | Processes and intermediates | VERTEX PHARMACEUTICALS INCORPORATED | 2009-02-19 | — | — | US | disclosed |
| US-7381827-B2 | 5-Ethoxy-4-(1-(benzyloxycarbonyl)-2-pyrrolidinylcarbonylamino)-5H-furan-2-one; purification by chromatography, selectively crystallization, or dynamic crystallization; useful for preparing caspase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-06-03 | — | — | US | disclosed |
| CN-1950364-A | Process and intermediates for preparing aspartate acetal caspase inhibitors | VERTEX PHARMA (US) | 2007-04-18 | — | — | CN | disclosed |
| EP-1725548-A2 | PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF ASPARTIC ACETAL CASPASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2006-11-29 | — | — | EP | disclosed |
| US-20060020016-A1 | Processes and intermediates | VERTEX PHARMACEUTICALS INCORPORATED | 2006-01-26 | — | — | US | disclosed |
| WO-2005090334-A2 | PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF ASPARTIC ACETAL CASPASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-09-29 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110071298-A1 | Processes and Intermediates | CASP1, CASP3, CASP5 | ALDH1A1 378/4885POLB 1990/4885TSHR 4859/4885 |
| US-20130066083-A1 | PROCESSES AND INTERMEDIATES | CASP1, CASP3, CASP5 | ALDH1A1 378/4885POLB 1990/4885TSHR 4859/4885 |
| US-20090048429-A1 | Processes and intermediates | CASP1, CASP3, CASP5 | ALDH1A1 378/4885POLB 1990/4885TSHR 4859/4885 |
| US-20060020016-A1 | Processes and intermediates | CASP1, CASP3, CASP5 | ALDH1A1 378/4885POLB 1990/4885TSHR 4859/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.