Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 4/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.48 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.48 |
| ▸ | MDM4 | O15151 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | FABP7 | O15540 | 1/20 | 0.44 |
| ▸ | FABP5 | Q01469 | 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 | |
|---|---|---|---|---|
| SCHEMBL3470475 | 1.00 | CASP3 (0.57) | CASP3KMT2AEPHX2PIN1MDM4 | |
| SCHEMBL9376602 | 1.00 | CASP3 (0.57) | CASP3KMT2AEPHX2PIN1MDM4 | |
| SCHEMBL29401008 | 1.00 | CASP3 (0.57) | CASP3KMT2AEPHX2PIN1MDM4 | |
| SCHEMBL28946743 | 0.89 | CASP3 (0.49) | CASP3KMT2AEPHX2PIN1MDM4 | |
| SCHEMBL17094815 | 0.89 | CASP3 (0.49) | CASP3KMT2AEPHX2PIN1MDM4 | |
| SCHEMBL178791 | 0.88 | CASP3 (0.60) | CASP3KMT2AEPHX2PIN1MDM4 | |
| SCHEMBL10173305 | 0.88 | CASP3 (0.58) | CASP3KMT2AEPHX2PIN1MDM4 | |
| SCHEMBL120703 | 0.88 | CASP3 (0.60) | CASP3KMT2AEPHX2PIN1MDM4 | |
| SCHEMBL2591012 | 0.88 | CASP3 (0.58) | CASP3KMT2AEPHX2PIN1MDM4 | |
| SCHEMBL13044090 | 0.88 | CASP3 (0.58) | CASP3KMT2AEPHX2PIN1MDM4 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2906535-B1 | INDOLINES | HOFFMANN LA ROCHE (CH) | 2018-08-08 | — | — | EP | disclosed |
| US-20170362271-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. | 2017-12-21 | — | — | US | disclosed |
| US-9676813-B2 | Certain steroids and methods for using the same in the treatment of cancer | NEUPHARMA, INC. (US) | 2017-06-13 | — | — | US | disclosed |
| EP-2906559-B1 | AZAINDOLINES | HOFFMANN LA ROCHE (CH) | 2017-02-08 | — | — | EP | disclosed |
| US-9403768-B2 | Indolines | HOFFMANN-LA ROCHE INC. (US) | 2016-08-02 | — | — | US | disclosed |
| US-9309248-B2 | Azaindolines | HOFFMANN-LA ROCHE INC. (US) | 2016-04-12 | — | — | US | disclosed |
| US-20160039865-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. (US) | 2016-02-11 | — | — | US | disclosed |
| US-20150266879-A1 | AZAINDOLINES | HOFFMANN-LA ROCHE INC. | 2015-09-24 | — | — | US | disclosed |
| US-20150246882-A1 | INDOLINES | HOFFMANN-LA ROCHE INC. | 2015-09-03 | — | — | US | disclosed |
| EP-2906559-A1 | AZAINDOLINES | F. Hoffmann-La Roche AG (CH) | 2015-08-19 | — | — | EP | disclosed |
| WO-2014056871-A1 | AZAINDOLINES | F. HOFFMANN-LA ROCHE AG (CH) | 2014-04-17 | — | — | WO | disclosed |
| WO-2013165924-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. (US) | 2013-11-07 | — | — | WO | disclosed |
| US-7358273-B2 | Inhibitors of caspases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-04-15 | — | — | US | disclosed |
| US-6727366-B2 | SUCH AS (4S)-N(((1R)-1-((3AS),4S,6S,7AR)-HEXAHYDRO-3A,5,5-TRIMETHYL-4,6-METHANO1 -1,3,2-BENZODIOXABOROL-2-YL)PROPYL)-3,5-(((2S)-3-METHYL-2-((PHENYLACETYL -AMINO)-BUTANOYL)-2-OXO-1-(3-P HENYLPROPYL)-4-IMIDAZOLIDINECARBOXAMIDE | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2004-04-27 | — | — | US | disclosed |
| US-20030100768-A1 | Imidazolidinones and their related derivatives as hepatitis C virus NS3 protease inhibitors | BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) | 2003-05-29 | — | — | US | disclosed |
| WO-2002048157-A2 | IMIDAZOLIDINONES AND THEIR RELATED DERIVATIVES AS HEPATITIS C VIRUS NS3 PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2002-06-20 | — | — | WO | disclosed |
| EP-0625978-A1 | PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS | THE WELLCOME FOUNDATION LIMITED (GB) | 1994-11-30 | — | — | EP | disclosed |
| WO-1993016073-A1 | PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-08-19 | — | — | 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 (5 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-20150246882-A1 | INDOLINES | IDO1, INMT, CCNY | CASP3 627/4885KMT2A 1687/4885EPHX2 3945/4885 |
| US-20160039865-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | TP53, VHL, SGMS2 | CASP3 811/4885KMT2A 2329/4885EPHX2 79/4885 |
| US-20150266879-A1 | AZAINDOLINES | AZI2, H1-5, CCNY | CASP3 619/4885KMT2A 112/4885EPHX2 3039/4885 |
| US-20030100768-A1 | Imidazolidinones and their related derivatives as hepatitis C virus NS3 protease inhibitors | PRSS1, SPINT2, SERPINB1 | CASP3 976/4885KMT2A 2777/4885EPHX2 2332/4885 |
| US-20170362271-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | TP53, VHL, SGMS2 | CASP3 811/4885KMT2A 2329/4885EPHX2 79/4885 |
“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.