Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.38 |
| ▸ | TNKS | O95271 | 1/20 | 0.37 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.37 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10269253 | 0.85 | MAPK1 (0.46) | ALDH1A1NPC1CASP3RAB9ASENP8 | |
| SCHEMBL13244818 | 0.85 | NPC1 (0.38) | ALDH1A1NPC1PLA2G1BNFKB1CASP3 | |
| SCHEMBL3139759 | 0.84 | TDP2 (0.51) | KIF11TDP2GSK3B | |
| SCHEMBL22339346 | 0.82 | CYP11B1 (0.47) | ALDH1A1NPC1PLA2G1BNFKB1CASP3 | |
| SCHEMBL700185 | 0.79 | NPC1 (0.43) | ALDH1A1NPC1PLA2G1BNFKB1CASP3 | |
| SCHEMBL8100048 | 0.79 | PARP10 (0.47) | ALDH1A1NPC1RAB9ABRD4CREBBP | |
| SCHEMBL12056336 | 0.77 | CLK4 (0.49) | ALDH1A1NPC1PLA2G1BNFKB1CASP3 | |
| SCHEMBL21619357 | 0.77 | CMA1 (0.51) | MEN1KMT2ATDP2GSK3BCLK4 | |
| SCHEMBL3154045 | 0.76 | GRM5 (0.45) | KMT2ATDP2GSK3BCLK4DAPK3 | |
| SCHEMBL18773967 | 0.76 | CA9 (0.49) | ALDH1A1NPC1PLA2G1BRAB9AL3MBTL1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170166560-A1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-06-15 | — | — | US | disclosed |
| US-9617224-B2 | Five-membered heterocycles useful as serine protease inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-04-11 | — | — | 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-8778874-B2 | Glycopeptide antibiotic monomer derivatives | NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) | 2014-07-15 | — | — | 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 |
| US-20080097078-A1 | Antibacterial activity against vancomycin-resistant bacteria | SHIONOGI & CO., LTD. (JP) | 2008-04-24 | — | — | 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-20170166560-A1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | F12, F11, F5 | ALDH1A1 4184/4885NPC1 3968/4885PLA2G1B 1348/4885 |
| US-20120088758-A1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | F12, F11, F5 | ALDH1A1 4184/4885NPC1 3968/4885PLA2G1B 1348/4885 |
| US-20140206706-A1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | F12, F11, F5 | ALDH1A1 4184/4885NPC1 3968/4885PLA2G1B 1348/4885 |
| US-20080097078-A1 | Antibacterial activity against vancomycin-resistant bacteria | CSGALNACT1, MON2, NR2C2 | ALDH1A1 2289/4885NPC1 1205/4885PLA2G1B 4847/4885 |
| US-20090036438-A1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | F12, F11, F5 | ALDH1A1 4184/4885NPC1 3968/4885PLA2G1B 1348/4885 |
“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.