SCHEMBL9108890

SCHEMBL9108890

CCOC(=O)c1c[nH]c(SCc2ccc(Oc3ccc(Cl)c(C(F)(F)F)c3)cc2)nc1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
PLA2G7 Q13093 5/20 0.38
CDK8 P49336 1/20 0.38
CHEK2 O96017 1/20 0.38
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
KDR P35968 2/20 0.37
RAF1 P04049 2/20 0.36
BRAF P15056 2/20 0.36
DHODH Q02127 1/20 0.36
HDAC1 Q13547 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36

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
SCHEMBL9889469 0.89 CYP4F2 (0.39) NPSR1CYP4F2CYP4A11
SCHEMBL9104734 0.85 PLA2G7 (0.42) PLA2G7CDK8CHEK2FABP3FABP4
SCHEMBL9900826 0.83 CA12 (0.49) KDM4EPLA2G7RAF1PPARGPPARA
SCHEMBL9103406 0.82 PLA2G7 (0.42) PLA2G7CDK8CHEK2FABP3FABP4
SCHEMBL3583828 0.79 TSHR (0.43) NPSR1
SCHEMBL9109151 0.78 PLA2G7 (0.55) PLA2G7CDK8FABP3FABP4
SCHEMBL9107962 0.76 SCN9A (0.42) PLA2G7CDK8CHEK2FABP3FABP4
SCHEMBL9108875 0.76 PLA2G7 (0.46) PLA2G7CDK8FABP3FABP4
SCHEMBL9892572 0.76 ABL1 (0.43) PLA2G7CDK8
Trifluoroacetic Acid SCHEMBL9108671 0.76 ABL1 (0.43) PLA2G7CDK8KDRPPARGPPARA

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
EP-2649053-B1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LTD (GB) 2015-11-04 EP disclosed
EP-2649053-B1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LTD (GB) 2015-11-04 EP disclosed
US-9174968-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-11-03 US disclosed
US-9174968-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-11-03 US disclosed
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-04-09 US disclosed
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-04-09 US disclosed
US-20140113922-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-04-24 US disclosed
US-8637536-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-01-28 US disclosed
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 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 (4 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-20140113922-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 KDM4E 3871/4885PLA2G7 6/4885CDK8 1802/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 KDM4E 3871/4885PLA2G7 6/4885CDK8 1802/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B KDM4E 3024/4885PLA2G7 4/4885CDK8 751/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B KDM4E 3085/4885PLA2G7 4/4885CDK8 742/4885

“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.