SCHEMBL4716119

SCHEMBL4716119

O=C(O)Cn1c(CCc2ccc(F)c(F)c2F)nc(=O)c2cc(F)ccc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 18/20 0.45
▸ PTGDR Q13258 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C8 P10632 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2A6 P11509 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2B6 P20813 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ PTGIR P43119 1/20 0.42
▸ AKR1B1 P15121 2/20 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL4717418 0.93 AKR1A1 (0.39) PTGDR2PTGDRCYP1A2CYP3A4CYP2C8
SCHEMBL4761013 0.90 PTGDR2 (0.52) PTGDR2PTGDRCYP1A2CYP3A4CYP2C8
SCHEMBL14020437 0.89 CYP2C9 (0.38) PTGDR2PTGDRCYP1A2CYP3A4CYP2C8
SCHEMBL4716910 0.88 GLA (0.48) PTGDR2CYP2C9AKR1B1
SCHEMBL14602766 0.84 CYP2C9 (0.38) PTGDR2PTGDRCYP1A2CYP3A4CYP2C8
SCHEMBL4715709 0.83 PTGDR2 (0.45) PTGDR2CYP2C9AKR1B1
SCHEMBL4713432 0.83 GLA (0.47) PTGDR2PTGDRPTGIR
SCHEMBL2802517 0.83 PTGDR2 (0.52) PTGDR2PTGDRCYP1A2CYP3A4CYP2C8
SCHEMBL4712329 0.80 APEX1 (0.42) PTGDR2CYP2C9AKR1B1
SCHEMBL4716936 0.80 PTGDR2 (0.48) PTGDR2CYP2C9CYP2C19AKR1B1

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 8 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-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 PTGDR2 113/4885PTGDR 115/4885CYP1A2 899/4885

“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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