Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 5/20 | 0.50 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.44 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.44 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.42 |
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.42 |
| ▸ | ADORA2B known ✓ | P29275 | 1/20 | 0.42 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.49 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.49 |
| ▸ | FAAH | O00519 | 1/20 | 0.47 |
| ▸ | MGLL | Q99685 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | FLT1 | P17948 | 1/20 | 0.41 |
| ▸ | FLT4 | P35916 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5142185 | 1.00 | MAOB (0.51) | MAOBPTGS2AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL7641541 | 0.86 | AKR1C3 (0.57) | MAOBPTGS2AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL7641537 | 0.86 | AKR1C3 (0.57) | MAOBPTGS2AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL13776409 | 0.86 | AKR1C3 (0.57) | MAOBPTGS2AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL7829898 | 0.85 | PTGS2 (0.50) | PTGS2AKR1C3AKR1C2AKR1C1FAAH | |
| SCHEMBL7840110 | 0.82 | BCAT2 (0.40) | MAOBPTGS2AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL7814053 | 0.77 | MAOB (0.63) | MAOBPTGS2AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL265232 | 0.74 | PTGS2 (0.69) | MAOBPTGS2AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL7844135 | 0.71 | PTGS2 (0.57) | PTGS2AKR1C3AKR1C2AKR1C1FAAH | |
| SCHEMBL7880898 | 0.70 | PTGS2 (0.50) | PTGS2AKR1C3AKR1C2AKR1C1FAAH |
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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1061908-A4 | COMBINATION THERAPY AND COMPOSITION FOR ACUTE CORONARY ISCHEMIC SYNDROME AND RELATED CONDITIONS | MERCK & CO INC (US) | 2007-01-24 | — | — | EP | claimed |
| EP-1024696-A4 | COMBINATION THERAPY FOR REDUCING THE RISKS ASSOCIATED WITH CARDIO- AND CEREBROVASCULAR DISEASE | MERCK & CO INC (US) | 2004-07-14 | — | — | EP | claimed |
| US-20040097573-A1 | Use of a COX-2 inhibitor and a NK-1 receptor antagonist for treating inflammation | BOYCE SUSAN (GB) | 2004-05-20 | — | — | US | claimed |
| EP-1283723-A2 | COMBINATION THERAPY USING COX-2 SELECTIVE INHIBITOR AND THROMBOXANE INHIBITOR AND COMPOSITIONS THEREFOR | Merck Frosst Canada & Co. (CA) | 2003-02-19 | — | — | EP | claimed |
| US-20020016342-A1 | Combination therapy using COX-2 selective inhibitor and thromboxane inhibitor and compositions therefor | SCOLNICK EDWARD (US) | 2002-02-07 | — | — | US | claimed |
| EP-0828724-B1 | DIARYL-5-OXYGENATED-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC (CA) | 2001-12-05 | — | — | EP | claimed |
| WO-2001087343-A2 | COMBINATION THERAPY USING COX-2 SELECTIVE INHIBITOR AND THROMBOXANE INHIBITOR AND COMPOSITIONS THEREFOR | MERCK FROSST CANADA & CO. (CA) | 2001-11-22 | — | — | WO | claimed |
| US-6245797-B1 | ADMINISTERING MIXTURE OF ENZYME INHIBITORS | MERCK & CO., INC. | 2001-06-12 | — | — | US | claimed |
| EP-1079863-A1 | USE OF A COX-2 INHIBITOR AND A NK-1 RECEPTOR ANTAGONIST FOR TREATING INFLAMMATION | MERCK SHARP & DOHME LTD. (GB) | 2001-03-07 | — | — | EP | claimed |
| EP-1061908-A1 | COMBINATION THERAPY AND COMPOSITION FOR ACUTE CORONARY ISCHEMIC SYNDROME AND RELATED CONDITIONS | Merck & Co., Inc. (US) | 2000-12-27 | — | — | EP | claimed |
| EP-1024696-A1 | COMBINATION THERAPY FOR REDUCING THE RISKS ASSOCIATED WITH CARDIO- AND CEREBROVASCULAR DISEASE | Merck & Co., Inc. (US) | 2000-08-09 | — | — | EP | claimed |
| WO-1999059635-A1 | USE OF A COX-2 INHIBITOR AND A NK-1 RECEPTOR ANTAGONIST FOR TREATING INFLAMMATION | MERCK SHARP & DOHME LIMITED (GB) | 1999-11-25 | — | — | WO | claimed |
| WO-1999045913-A1 | COMBINATION THERAPY AND COMPOSITION FOR ACUTE CORONARY ISCHEMIC SYNDROME AND RELATED CONDITIONS | MERCK & CO., INC. (US) | 1999-09-16 | — | — | WO | claimed |
| WO-1999020110-A1 | COMBINATION THERAPY FOR REDUCING THE RISKS ASSOCIATED WITH CARDIO- AND CEREBROVASCULAR DISEASE | MERCK & CO., INC. (US) | 1999-04-29 | — | — | WO | claimed |
| EP-0828724-A1 | DIARYL-5-OXYGENATED-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1998-03-18 | — | — | EP | claimed |
| WO-1996036623-A1 | DIARYL-5-OXYGENATED-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1996-11-21 | — | — | WO | claimed |
| EP-1061908-A4 | COMBINATION THERAPY AND COMPOSITION FOR ACUTE CORONARY ISCHEMIC SYNDROME AND RELATED CONDITIONS | MERCK & CO INC (US) | 2007-01-24 | — | — | EP | disclosed |
| EP-1024696-A4 | COMBINATION THERAPY FOR REDUCING THE RISKS ASSOCIATED WITH CARDIO- AND CEREBROVASCULAR DISEASE | MERCK & CO INC (US) | 2004-07-14 | — | — | EP | disclosed |
| EP-0828724-A1 | DIARYL-5-OXYGENATED-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1998-03-18 | — | — | EP | disclosed |
| WO-1996036623-A1 | DIARYL-5-OXYGENATED-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1996-11-21 | — | — | WO | 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 (2 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-20040097573-A1 | Use of a COX-2 inhibitor and a NK-1 receptor antagonist for treating inflammation | PTGS1, PTGS2, PTGES2 | PTGS2 2/4885CA1 1977/4885CA2 647/4885 |
| US-20020016342-A1 | Combination therapy using COX-2 selective inhibitor and thromboxane inhibitor and compositions therefor | PTGES2, PTGS2, PTGER1 | PTGS2 2/4885CA1 1798/4885CA2 689/4885 |
“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.