SCHEMBL4713097

SCHEMBL4713097

Cc1ccc2c(=O)nc(CCc3cccc(F)c3F)n(CC(=O)O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 4/20 0.43
▸ PTGDR2 Q9Y5Y4 12/20 0.42
▸ AKR1A1 P14550 2/20 0.39
▸ AKR1B1 P15121 2/20 0.39
▸ APEX1 P27695 1/20 0.37
▸ PTGS1 P23219 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ CXCR2 P25025 1/20 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL4716936 0.93 PTGDR2 (0.48) CYP2C9PTGDR2AKR1A1AKR1B1PTGS1
SCHEMBL4715709 0.90 PTGDR2 (0.45) CYP2C9PTGDR2AKR1A1AKR1B1APEX1
SCHEMBL14602778 0.89 CYP2C9 (0.44) CYP2C9PTGDR2AKR1A1AKR1B1APEX1
SCHEMBL4713891 0.89 CYP2C9 (0.44) CYP2C9PTGDR2AKR1A1AKR1B1APEX1
SCHEMBL2803782 0.86 CYP2C9 (0.54) CYP2C9PTGDR2AKR1A1AKR1B1APEX1
SCHEMBL4717537 0.86 CYP2C9 (0.53) CYP2C9PTGDR2AKR1A1AKR1B1APEX1
SCHEMBL14602777 0.86 CYP2C9 (0.43) CYP2C9PTGDR2AKR1A1AKR1B1APEX1
SCHEMBL4761013 0.85 PTGDR2 (0.52) CYP2C9PTGDR2CYP2C19
SCHEMBL4718018 0.82 PTGDR2 (0.41) CYP2C9PTGDR2AKR1A1AKR1B1APEX1
SCHEMBL4715057 0.82 CYP2C9 (0.41) CYP2C9PTGDR2AKR1A1AKR1B1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 — — US disclosed
US-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 — — US disclosed
US-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 — — US disclosed
EP-1337517-B1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2008-11-26 — — EP disclosed
US-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 — — US disclosed
US-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 — — US disclosed
US-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 — — US disclosed
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis ELLIOTT RICHARD L 2006-10-26 — — US disclosed
EP-1337517-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 — — EP disclosed
WO-2002030911-A1 PYRIMIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-18 — — 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis PLA2G7, PLA2G1B, PLA2G4B CYP2C9 2137/4885PTGDR2 113/4885AKR1A1 501/4885

“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.

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