SCHEMBL9900810

SCHEMBL9900810

OCCc1cnc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.43
KDR P35968 1/20 0.43
PLA2G7 Q13093 10/20 0.43
TRPV1 Q8NER1 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SCN9A Q15858 3/20 0.40
GPR84 Q9NQS5 1/20 0.39
NOTUM Q6P988 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
SCN5A Q14524 1/20 0.39

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
SCHEMBL875283 0.91 BRAF (0.44) BRAFKDRPLA2G7SMN1; SMN2SCN9A
SCHEMBL9901028 0.89 PLA2G7 (0.38) PLA2G7SMN1; SMN2SCN9A
SCHEMBL9923487 0.82 GPR84 (0.42) BRAFKDRPLA2G7SCN9AGPR84
SCHEMBL9900913 0.82 PLA2G7 (0.41) BRAFKDRPLA2G7SCN9AGPR84
SCHEMBL9904748 0.82 PLA2G7 (0.42) BRAFKDRPLA2G7GPR84
SCHEMBL9923513 0.82 GPR84 (0.44) BRAFKDRPLA2G7GPR84
SCHEMBL9108685 0.82 PLA2G7 (0.51) PLA2G7TRPV1GPR84PPARGPPARA
SCHEMBL9923461 0.81 PLA2G7 (0.47) BRAFKDRPLA2G7SCN9AGPR84
SCHEMBL875590 0.81 PLA2G7 (0.43) BRAFKDRPLA2G7TRPV1GPR84
SCHEMBL14656218 0.80 TRPA1 (0.40) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
EP-2649050-A1 COMPOUNDS Glaxo Group Limited (GB) 2013-10-16 EP disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
WO-2012075917-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed
WO-2012075917-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-14 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 (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-20130252986-A1 COMPOUNDS LIPG, ENPP2, PLA2G1B BRAF 2646/4885KDR 1031/4885PLA2G7 6/4885

“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.