Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 2/20 | 0.53 |
| ▸ | CTSS | P25774 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | CTSC | P53634 | 2/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18023562 | 0.84 | CTSC (0.55) | CTSKCTSSCYP2C19RAB9ACTSC | |
| SCHEMBL19664147 | 0.84 | CTSC (0.55) | CTSKCTSSCYP2C19RAB9ACTSC | |
| SCHEMBL11153654 | 0.80 | CTSK (0.55) | CTSKCTSSCYP2C19RAB9ACTSC | |
| SCHEMBL14164208 | 0.75 | CTSK (0.68) | CTSKCTSSCYP2C19RAB9ACTSC | |
| SCHEMBL253781 | 0.75 | CYP2C19 (0.72) | CYP2C19RAB9ACTSCHPGDNPC1 | |
| SCHEMBL1914799 | 0.74 | CYP2C19 (0.53) | CTSKCTSSCYP2C19RAB9ACTSC | |
| SCHEMBL11021058 | 0.74 | CTSK (0.61) | CTSKCTSSCYP2C19RAB9ACTSC | |
| SCHEMBL1914803 | 0.74 | CYP2C19 (0.53) | CTSKCTSSCYP2C19RAB9ACTSC | |
| SCHEMBL6380835 | 0.74 | CTSK (0.46) | CTSKCTSSCYP2C19RAB9ACTSC | |
| SCHEMBL10916089 | 0.74 | NPC1 (0.49) | CTSKCTSSCYP2C19RAB9ACYP2C9 |
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 3 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-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-20060160862-A1 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2006-07-20 | — | — | 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 (1 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-20060160862-A1 | Caspase inhibitors and uses thereof | CASP1, CASP5, CASP3 | CTSK 101/4885CTSS 68/4885CYP2C19 520/4885 |
“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.