SCHEMBL3612929

SCHEMBL3612929

Cc1cn(CC(=O)O)c(SCc2ccc(F)cc2)nc1=O

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 20/20 0.58
CYP3A4 P08684 3/20 0.58
CYP2D6 P10635 3/20 0.58

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
SCHEMBL3540781 0.87 PLA2G7 (0.59) PLA2G7CYP3A4CYP2D6
SCHEMBL3534760 0.86 PLA2G7 (0.58) PLA2G7CYP3A4CYP2D6
SCHEMBL3534790 0.86 PLA2G7 (0.55) PLA2G7CYP3A4CYP2D6
SCHEMBL3538417 0.86 PLA2G7 (0.55) PLA2G7CYP3A4CYP2D6
SCHEMBL3539646 0.85 PLA2G7 (0.58) PLA2G7
SCHEMBL3535930 0.85 PLA2G7 (0.56) PLA2G7
SCHEMBL3600811 0.85 PLA2G7 (0.63) PLA2G7CYP3A4CYP2D6
SCHEMBL3537601 0.84 PLA2G7 (0.59) PLA2G7CYP3A4CYP2D6
SCHEMBL3540652 0.84 PLA2G7 (0.50) PLA2G7CYP3A4CYP2D6
SCHEMBL3538493 0.83 PLA2G7 (0.47) PLA2G7

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266841-B2 Compounds GLAXO GROUP LIMITED (GB) 2016-02-23 US disclosed
US-9266841-B2 Compounds GLAXO GROUP LIMITED (GB) 2016-02-23 US disclosed
US-9266841-B2 Compounds GLAXO GROUP LIMITED (GB) 2016-02-23 US disclosed
US-20150045375-A1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2015-02-12 US disclosed
US-20150045375-A1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2015-02-12 US disclosed
US-20150045375-A1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2015-02-12 US disclosed
US-8871775-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
US-8871775-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
US-8871775-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
US-20120172378-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-07-05 US disclosed
US-20070123549-A1 platelet activating factor aceylhydrolase inhibitors such as 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5-ethylpyrimidin-4-one; for treatment of atherosclerosis SMITHKLINE BEECHAM PLC 2007-05-31 US disclosed
US-20070123549-A1 platelet activating factor aceylhydrolase inhibitors such as 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5-ethylpyrimidin-4-one; for treatment of atherosclerosis SMITHKLINE BEECHAM PLC 2007-05-31 US disclosed
US-7153861-B2 For therapy of atheroscelerosis SMITHKLINE BEECHAM P.L.C. (GB) 2006-12-26 US disclosed
EP-1686119-A1 PYRIMIDINE-4-ONE DERIVATIVES AS LDL-PLA2 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2006-08-02 EP disclosed
EP-1263740-B1 PYRIMIDINE-4-ONE DERIVATIVE AS LDL-PLA2 INHIBITOR SMITHKLINE BEECHAM PLC (GB) 2006-07-19 EP disclosed
US-20040097525-A1 For therapy of atheroscelerosis SMITHKLINE BEECHAM PLC 2004-05-20 US disclosed
US-6649619-B1 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl) benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5,6-trimeth ylenepyrimidin-4-one or salt; lipoprotein-associated phospholipase A inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2003-11-18 US disclosed
EP-1263740-A1 PYRIMIDINE-4-ONE DERIVATIVES AS LDL-PLA2 INHIBITORS SmithKline Beecham plc (GB) 2002-12-11 EP disclosed
US-20020103213-A1 Pyrimidone compounds which are inhibitors of the enzyme Lp-PLA2; use in treating atheroscelerosis SMITHKLINE BEECHAM P.L.C. (GB) 2002-08-01 US disclosed
WO-2001060805-A1 PYRIMIDINE-4-ONE DERIVATIVES AS LDL-PLA2 INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2001-08-23 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 (5 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-20150045375-A1 NOVEL COMPOUNDS PLA2G7, ALOX15B, PLA2G1B PLA2G7 1/4885CYP3A4 1950/4885CYP2D6 943/4885
US-20120172378-A1 NOVEL COMPOUNDS PLA2G7, ALOX15B, PLA2G1B PLA2G7 1/4885CYP3A4 1950/4885CYP2D6 943/4885
US-20070123549-A1 platelet activating factor aceylhydrolase inhibitors such as 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5-ethylpyrimidin-4-one; for treatment of atherosclerosis PLA2G7, PLAT, PLA2G1B PLA2G7 1/4885CYP3A4 3573/4885CYP2D6 2442/4885
US-20040097525-A1 For therapy of atheroscelerosis LYPLA2, LOXL2, LYPLA1 PLA2G7 70/4885CYP3A4 3115/4885CYP2D6 734/4885
US-20020103213-A1 Pyrimidone compounds which are inhibitors of the enzyme Lp-PLA2; use in treating atheroscelerosis LYPLAL1, ENPP2, LYPLA2 PLA2G7 20/4885CYP3A4 3010/4885CYP2D6 825/4885

“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.