SCHEMBL4717043

SCHEMBL4717043

CCOC(=O)Cn1c(CCc2cccc(F)c2F)nc(=O)c2sccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ GSR P00390 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HK1 P19367 1/20 0.36
▸ HKDC1 Q2TB90 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SAE1 Q9UBE0 1/20 0.35

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
SCHEMBL4712638 0.86 FEN1 (0.42) CYP2C9ALDH1A1FEN1KDM4ESMN1; SMN2
SCHEMBL4717983 0.84 CYP2C9 (0.52) HSD17B10TSHRKMT2ACYP2C9ALDH1A1
SCHEMBL4846348 0.79 CYP2C9 (0.53) HSD17B10TSHRKMT2ACYP2C9ALDH1A1
SCHEMBL4713050 0.78 LMNA (0.44) TSHRKMT2ACYP2C9ALDH1A1MEN1
SCHEMBL14498586 0.77 TSHR (0.41) HSD17B10TSHRKMT2AALDH1A1FEN1
SCHEMBL4714932 0.77 CYP2C9 (0.40) HSD17B10TSHRKMT2ACYP2C9ALDH1A1
SCHEMBL14498578 0.72 KMT2A (0.40) HSD17B10TSHRKMT2AALDH1A1MEN1
SCHEMBL14498581 0.72 ALDH1A1 (0.41) HSD17B10TSHRKMT2ACYP2C9ALDH1A1
SCHEMBL4718018 0.71 PTGDR2 (0.41) CYP2C9ALDH1A1KDM4E
SCHEMBL4716936 0.70 PTGDR2 (0.48) CYP2C9CYP2C19

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 11 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
US-20040058941-A1 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-25 — — 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 (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 HSD17B10 890/4885TSHR 4009/4885KMT2A 2470/4885
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis PLA2G7, PLA2G1B, PLA2G4B HSD17B10 897/4885TSHR 3873/4885KMT2A 2798/4885

“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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