SCHEMBL4716936

SCHEMBL4716936

Cc1ccc2c(c1)c(=O)nc(CCc1cccc(F)c1F)n2CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 18/20 0.48
▸ CYP2C9 P11712 2/20 0.44
▸ PTGS1 P23219 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ AKR1B1 P15121 3/20 0.42
▸ AKR1A1 P14550 1/20 0.40

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
SCHEMBL4713097 0.93 CYP2C9 (0.43) PTGDR2CYP2C9PTGS1SLC6A4CYP2C19
SCHEMBL4761013 0.90 PTGDR2 (0.52) PTGDR2CYP2C9CYP2C19
SCHEMBL4713891 0.87 CYP2C9 (0.44) PTGDR2CYP2C9AKR1B1AKR1A1
SCHEMBL2803782 0.87 CYP2C9 (0.54) PTGDR2CYP2C9AKR1B1AKR1A1
SCHEMBL14602777 0.84 CYP2C9 (0.43) PTGDR2CYP2C9AKR1B1AKR1A1
SCHEMBL4715709 0.84 PTGDR2 (0.45) PTGDR2CYP2C9AKR1B1AKR1A1
SCHEMBL14602778 0.84 CYP2C9 (0.44) PTGDR2CYP2C9AKR1B1AKR1A1
SCHEMBL4718018 0.82 PTGDR2 (0.41) PTGDR2CYP2C9AKR1B1AKR1A1
SCHEMBL4715057 0.82 CYP2C9 (0.41) PTGDR2CYP2C9AKR1B1AKR1A1
SCHEMBL4717537 0.81 CYP2C9 (0.53) PTGDR2CYP2C9AKR1B1AKR1A1

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 9 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
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

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 PTGDR2 113/4885CYP2C9 2137/4885PTGS1 151/4885

“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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