SCHEMBL4712329

SCHEMBL4712329

O=C(O)Cn1c(CCc2ccc(F)c(F)c2F)nc(=O)c2c(F)cccc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 2/20 0.42
▸ CYP2C9 P11712 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ AKR1A1 P14550 3/20 0.35
▸ AKR1B1 P15121 3/20 0.35
▸ PTGDR2 Q9Y5Y4 2/20 0.35
▸ POLB P06746 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4716910 0.86 GLA (0.48) APEX1CYP2C9KDM4EAKR1A1AKR1B1
SCHEMBL4718018 0.85 PTGDR2 (0.41) APEX1CYP2C9KDM4EALDH1A1AKR1A1
SCHEMBL2803782 0.81 CYP2C9 (0.54) APEX1CYP2C9KDM4EALDH1A1AKR1A1
SCHEMBL4716119 0.80 PTGDR2 (0.45) CYP2C9AKR1B1PTGDR2
SCHEMBL4717418 0.80 AKR1A1 (0.39) CYP2C9AKR1A1AKR1B1PTGDR2
SCHEMBL4713891 0.79 CYP2C9 (0.44) APEX1CYP2C9KDM4EALDH1A1AKR1A1
SCHEMBL14020437 0.79 CYP2C9 (0.38) APEX1CYP2C9AKR1A1AKR1B1PTGDR2
SCHEMBL4717069 0.79 CYP2C9 (0.42) APEX1CYP2C9KDM4EALDH1A1PTGDR2
SCHEMBL14602766 0.78 CYP2C9 (0.38) APEX1CYP2C9AKR1A1AKR1B1PTGDR2
SCHEMBL4761013 0.77 PTGDR2 (0.52) CYP2C9PTGDR2

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-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 APEX1 1088/4885CYP2C9 2137/4885KDM4E 3484/4885

“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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