SCHEMBL4715720

SCHEMBL4715720

Cn1cc2c(=O)nc(CCc3cccc(F)c3F)n(CC(=O)O)c2n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 4/20 0.41
▸ PTGDR2 Q9Y5Y4 6/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.37
▸ CXCR2 P25025 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ MAOB P27338 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ APEX1 P27695 1/20 0.32
▸ CMA1 P23946 1/20 0.32

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
SCHEMBL4714932 0.88 CYP2C9 (0.40) CYP2C9HDAC6ALDH1A1MEN1TSHR
SCHEMBL2807725 0.82 CYP2C9 (0.55) CYP2C9PTGDR2HDAC6MEN1KMT2A
SCHEMBL3456353 0.82 PTGDR2 (0.39) PTGDR2HDAC6CXCR2MAOBCMA1
SCHEMBL4713891 0.80 CYP2C9 (0.44) CYP2C9PTGDR2HDAC6CXCR2ALDH1A1
SCHEMBL2803782 0.80 CYP2C9 (0.54) CYP2C9PTGDR2HDAC6ALDH1A1KDM4E
SCHEMBL4715057 0.80 CYP2C9 (0.41) CYP2C9PTGDR2HDAC6MEN1KMT2A
SCHEMBL4716936 0.79 PTGDR2 (0.48) CYP2C9PTGDR2
SCHEMBL4761013 0.78 PTGDR2 (0.52) CYP2C9PTGDR2
SCHEMBL4713097 0.78 CYP2C9 (0.43) CYP2C9PTGDR2CXCR2APEX1
SCHEMBL14602777 0.78 CYP2C9 (0.43) CYP2C9PTGDR2HDAC6CXCR2ALDH1A1

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 7 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
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-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis ELLIOTT RICHARD L 2006-10-26 — — US disclosed
US-20040058941-A1 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-25 — — 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040058941-A1 Pyrimidinone derivatives and their use in the treatment of atherosclerosis TYMP, LPL, PLAT CYP2C9 1906/4885PTGDR2 151/4885HDAC6 4125/4885
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis PLA2G7, PLA2G1B, PLA2G4B CYP2C9 2137/4885PTGDR2 113/4885HDAC6 3833/4885

“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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