Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPRB | P23467 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | HPGD | P15428 | 5/20 | 0.43 |
| ▸ | HTT | P42858 | 5/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | PKM | P14618 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | XBP1 | P17861 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 3/20 | 0.41 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL394602 | 0.87 | PTPRB (0.52) | PTPRBALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL394603 | 0.87 | PTPRB (0.52) | PTPRBALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL395652 | 0.82 | CTSS (0.47) | PTPRBALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL1196923 | 0.82 | PTPRB (0.49) | PTPRBALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL1196546 | 0.81 | PTPRB (0.44) | PTPRBALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL1196547 | 0.81 | PTPRB (0.44) | PTPRBALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL8240165 | 0.78 | CTSS (0.55) | PTPRBALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL1925923 | 0.78 | CTSK (0.48) | PTPRBALDH1A1LMNATSHRHSD17B10 | |
| SCHEMBL23770317 | 0.78 | PTPRB (0.52) | PTPRBALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL27571238 | 0.78 | CTSK (0.50) | PTPRBALDH1A1HPGDHTTNPSR1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |
| 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 (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-20120088758-A1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | F12, F11, F5 | PTPRB 2919/4885ALDH1A1 4184/4885HPGD 1339/4885 |
| US-20150259297-A1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | F12, F11, F5 | PTPRB 2919/4885ALDH1A1 4184/4885HPGD 1339/4885 |
| US-20140206706-A1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | F12, F11, F5 | PTPRB 2919/4885ALDH1A1 4184/4885HPGD 1339/4885 |
| US-20090036438-A1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | F12, F11, F5 | PTPRB 2919/4885ALDH1A1 4184/4885HPGD 1339/4885 |
| 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 | PTPRB 3106/4885ALDH1A1 3601/4885HPGD 2209/4885 |
“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.