Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.66 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.55 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.47 |
| ▸ | SLC9A3 | P48764 | 1/20 | 0.47 |
| ▸ | SLC9A2 | Q9UBY0 | 1/20 | 0.47 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.47 |
| ▸ | SLC6A19 | Q695T7 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL394183 | 1.00 | AKR1C3 (0.66) | AKR1C3AKR1C2HSD17B3ALDH1A1SLC9A1 | |
| SCHEMBL2419606 | 1.00 | AKR1C3 (0.66) | AKR1C3AKR1C2HSD17B3ALDH1A1SLC9A1 | |
| SCHEMBL8746678 | 0.88 | AKR1C3 (0.76) | AKR1C3ALDH1A1SLC9A1SLC9A3SLC9A2 | |
| SCHEMBL8746676 | 0.88 | AKR1C3 (0.76) | AKR1C3ALDH1A1SLC9A1SLC9A3SLC9A2 | |
| SCHEMBL23890398 | 0.87 | HSD17B3 (0.55) | AKR1C3AKR1C2HSD17B3ALDH1A1SLC9A1 | |
| SCHEMBL3095394 | 0.81 | AKR1C3 (0.71) | AKR1C3ALDH1A1SLC9A1SLC9A3SLC9A2 | |
| SCHEMBL820380 | 0.81 | AKR1C3 (0.66) | AKR1C3ALDH1A1SLC9A1SLC9A3SLC9A2 | |
| SCHEMBL7824296 | 0.81 | AKR1C3 (0.66) | AKR1C3ALDH1A1SLC9A1SLC9A3SLC9A2 | |
| SCHEMBL1137220 | 0.81 | AKR1C3 (0.66) | AKR1C3ALDH1A1SLC9A1SLC9A3SLC9A2 | |
| SCHEMBL1137218 | 0.81 | AKR1C3 (0.66) | AKR1C3ALDH1A1SLC9A1SLC9A3SLC9A2 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10112936-B2 | Five-membered heterocycles useful as serine protease inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-10-30 | — | — | US | disclosed |
| US-20170166560-A1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-06-15 | — | — | US | disclosed |
| EP-1773786-B1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-04-26 | — | — | EP | disclosed |
| US-9617224-B2 | Five-membered heterocycles useful as serine protease inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-04-11 | — | — | US | disclosed |
| US-20150259297-A1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2015-09-17 | — | — | US | disclosed |
| US-9079860-B2 | Five-membered heterocycles useful as serine protease inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-07-14 | — | — | US | disclosed |
| US-20140206706-A1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2014-07-24 | — | — | US | disclosed |
| US-8716492-B2 | Five-membered heterocycles useful as serine protease inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-05-06 | — | — | US | disclosed |
| CN-101006063-B | Five-membered heterocycles useful as serine protease inhibitors. | BRISTOL MYERS SQUIBB CO | 2013-07-17 | — | — | CN | disclosed |
| US-20120088758-A1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2012-04-12 | — | — | US | disclosed |
| US-8101778-B2 | Five-membered heterocycles useful as serine protease inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-01-24 | — | — | US | disclosed |
| US-20090036438-A1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-02-05 | — | — | US | disclosed |
| US-7453002-B2 | thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-11-18 | — | — | US | disclosed |
| CN-101006063-A | Five-membered heterocycles useful as serine protease inhibitors. | BRISTOL MYERS SQUIBB CO (US) | 2007-07-25 | — | — | CN | disclosed |
| EP-1773786-A2 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2007-04-18 | — | — | EP | disclosed |
| WO-2005123050-A2 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-12-29 | — | — | WO | disclosed |
| US-20050282805-A1 | thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide | BRISTOL-MYERS SQUIBB COMPANY | 2005-12-22 | — | — | 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 (7 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-20170166560-A1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | F12, F11, F5 | AKR1C3 315/4885AKR1C2 1052/4885HSD17B3 816/4885 |
| US-10112936-B2 | Five-membered heterocycles useful as serine protease inhibitors | F12, F11, F5 | AKR1C3 315/4885AKR1C2 1052/4885HSD17B3 816/4885 |
| US-20120088758-A1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | F12, F11, F5 | AKR1C3 315/4885AKR1C2 1052/4885HSD17B3 816/4885 |
| US-20150259297-A1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | F12, F11, F5 | AKR1C3 315/4885AKR1C2 1052/4885HSD17B3 816/4885 |
| US-20140206706-A1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | F12, F11, F5 | AKR1C3 315/4885AKR1C2 1052/4885HSD17B3 816/4885 |
| US-20090036438-A1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | F12, F11, F5 | AKR1C3 315/4885AKR1C2 1052/4885HSD17B3 816/4885 |
| US-20050282805-A1 | thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide | F11, TFPI, F12 | AKR1C3 257/4885AKR1C2 552/4885HSD17B3 2447/4885 |
“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.