SCHEMBL3583829

SCHEMBL3583829

CCOC(=O)c1cnc(SCc2ccc(F)cc2)[nH]c1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.55
KDM4A O75164 1/20 0.55
KDM4D Q6B0I6 1/20 0.55
HIF1AN Q9NWT6 1/20 0.55
KDM5B Q9UGL1 1/20 0.55
KDM2A Q9Y2K7 1/20 0.55
CA12 O43570 4/20 0.54
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
CA6 P23280 4/20 0.54
CA7 P43166 4/20 0.54
CA13 Q8N1Q1 4/20 0.54
PLA2G7 Q13093 1/20 0.52
ALDH1A1 P00352 4/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
TSHR P16473 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48

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
SCHEMBL22868062 0.81 CA12 (0.47) KDM6BKDM4AKDM4DHIF1ANKDM5B
SCHEMBL3543185 0.80 PLA2G7 (0.57) KDM6BKDM4AKDM4DHIF1ANKDM5B
SCHEMBL4953030 0.79 PLA2G7 (0.62) KDM6BKDM4AKDM4DHIF1ANKDM5B
SCHEMBL9900826 0.79 CA12 (0.49) KDM6BKDM4AKDM4DHIF1ANKDM5B
SCHEMBL11013238 0.78 CA12 (0.57) KDM6BKDM4AKDM4DHIF1ANKDM5B
SCHEMBL3545058 0.78 PLA2G7 (0.71) KDM6BKDM4AKDM4DHIF1ANKDM5B
SCHEMBL29581998 0.78 CA12 (0.47) KDM6BKDM4AKDM4DHIF1ANKDM5B
SCHEMBL3160169 0.78 KDM6B (0.63) KDM6BKDM4AKDM4DHIF1ANKDM5B
SCHEMBL22867798 0.78 CA12 (0.50) KDM6BKDM4AKDM4DHIF1ANKDM5B
SCHEMBL29581389 0.78 CA12 (0.50) KDM6BKDM4AKDM4DHIF1ANKDM5B

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20100144765-A1 5,6-TRIMETHYLENEPYRIMIDIN-4-ONE COMPOUNDS HICKEY DEIDRE MARY BERNADETTE 2010-06-10 US disclosed
US-7638520-B2 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 (GB) 2009-12-29 US disclosed
EP-1686119-B1 Pyrimidine-5-one derivatives as LDL-PLA2 inhibitors SMITHKLINE BEECHAM PLC (GB) 2009-07-29 EP disclosed
US-20090170877-A1 5,6-Trimethylenepyrimidin-4-one compounds SMITHKLINE BEECHAM P.L.C. 2009-07-02 US disclosed
US-7470694-B2 Treating atherosclerosis by administering 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5,6-trimethylenepyrimidin-4-one or a salt; coadministering an anticholesterol agent; inhibitor of platlet activating factor acetylhydrolase SMITHKLINE BEECHAM, PLC (GB) 2008-12-30 US disclosed
US-20070155762-A1 Treating atherosclerosis by administering 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5,6-trimethylenepyrimidin-4-one or a salt; coadministering an anticholesterol agent; inhibitor of platlet activating factor acetylhydrolase SMITHKLINE BEECHAM PLC 2007-07-05 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-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

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-20090170877-A1 5,6-Trimethylenepyrimidin-4-one compounds PLA2G4A, PLA2G4B, PLA2G1B KDM6B 2198/4885KDM4A 1337/4885KDM4D 1592/4885
US-20120172378-A1 NOVEL COMPOUNDS PLA2G7, ALOX15B, PLA2G1B KDM6B 2626/4885KDM4A 2442/4885KDM4D 3119/4885
US-20070155762-A1 Treating atherosclerosis by administering 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5,6-trimethylenepyrimidin-4-one or a salt; coadministering an anticholesterol agent; inhibitor of platlet activating factor acetylhydrolase PLAT, PLA2G7, LYPLAL1 KDM6B 3653/4885KDM4A 2494/4885KDM4D 2810/4885
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 KDM6B 2912/4885KDM4A 2037/4885KDM4D 2309/4885
US-20100144765-A1 5,6-TRIMETHYLENEPYRIMIDIN-4-ONE COMPOUNDS PLA2G4A, PLA2G4B, PLA2G1B KDM6B 2198/4885KDM4A 1337/4885KDM4D 1592/4885

“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.