Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GPR17 | Q13304 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | P2RY2 | P41231 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9007689 | 0.76 | PAX8 (0.49) | SMN1; SMN2GPR17KMT2AAPEX1MEN1 | |
| SCHEMBL28600352 | 0.73 | LMNA (0.43) | SMN1; SMN2KMT2AMEN1TSHRPOLB | |
| SCHEMBL11628222 | 0.72 | TSHR (0.52) | SMN1; SMN2GPR17KMT2AP2RY2MEN1 | |
| SCHEMBL6616502 | 0.71 | TDP1 (0.62) | SMN1; SMN2KMT2AMEN1THRBTSHR | |
| SCHEMBL6616509 | 0.71 | TDP1 (0.62) | SMN1; SMN2KMT2AMEN1THRBTSHR | |
| SCHEMBL29052062 | 0.70 | PAX8 (0.44) | SMN1; SMN2GPR17KMT2AAPEX1MEN1 | |
| SCHEMBL28866287 | 0.69 | TDP1 (0.44) | SMN1; SMN2KMT2AMEN1TSHRACHE | |
| SCHEMBL4300184 | 0.69 | KMT2A (0.54) | SMN1; SMN2KMT2AMEN1THRBGAA | |
| SCHEMBL4300187 | 0.69 | KMT2A (0.54) | SMN1; SMN2KMT2AMEN1THRBGAA | |
| SCHEMBL4016980 | 0.68 | F2 (0.44) | SMN1; SMN2GPR17KMT2AMEN1ACHE |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8362043-B2 | Use in controlling apoptosis, as antiinflammatory agents, in treating autoimmune disease, as antiischemic agents, in treating cardiovascular disorders; for example, 3(R,S)-[2(S)-(3-Benzoylamino-2-oxo-2H-pyridin-1-yl)-3-phenyl-propionylamino]-5-fluoro-4-oxo-pentanoic acid | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-29 | — | — | US | disclosed |
| EP-2412707-A2 | 3-[2-(3-Amino-2-oxo-2H-pyridin-1-yl)-acetylamino]-4-oxo-pentanoic acid derivatives and their use as caspase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-01 | — | — | EP | disclosed |
| EP-1833794-B1 | 3-[2-(3-ACYLAMINO-2-OXO-2H-PYRIDIN-1-YL)-ACETYLAMINO]-4-OXO-PENTANOIC ACID DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS | VERTEX PHARMA (US) | 2012-02-01 | — | — | EP | disclosed |
| US-7960415-B2 | Caspase inhibitors and uses thereof | Vertex Pharmaceutical Incoporated (US) | 2011-06-14 | — | — | US | disclosed |
| US-20090093416-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED | 2009-04-09 | — | — | US | disclosed |
| EP-1833794-A1 | 3-[2-(3-ACYLAMINO-2-OXO-2H-PYRIDIN-1-YL)-ACETYLAMINO]-4-OXO-PENTANOIC ACID DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS | Vertex Pharmceuticals Incorporated (US) | 2007-09-19 | — | — | EP | disclosed |
| US-20060160862-A1 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2006-07-20 | — | — | US | disclosed |
| WO-2006057961-A1 | 3-[2-(3-ACYLAMINO-2-OXO-2H-PYRIDIN-1-YL)-ACETYLAMINO]-4-OXO-PENTANOIC ACID DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-06-01 | — | — | WO | disclosed |
| US-20040242494-A1 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2004-12-02 | — | — | US | 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 (3 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-20040242494-A1 | Caspase inhibitors and uses thereof | CASP1, CASP5, CASP3 | SMN1; SMN2 2348/4885GPR17 2481/4885KMT2A 3877/4885 |
| US-20090093416-A1 | CASPASE INHIBITORS AND USES THEREOF | CASP1, CASP5, CASP3 | SMN1; SMN2 2178/4885GPR17 1739/4885KMT2A 3361/4885 |
| US-20060160862-A1 | Caspase inhibitors and uses thereof | CASP1, CASP5, CASP3 | SMN1; SMN2 2073/4885GPR17 1909/4885KMT2A 3471/4885 |
“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.