SCHEMBL9904993

SCHEMBL9904993

Cc1c[nH]c(=O)nc1OCc1ccc(Oc2ccc(F)c(F)c2)c(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 7/20 0.41
CNR1 P21554 6/20 0.39
PLA2G7 Q13093 1/20 0.38
CNR2 P34972 1/20 0.37

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
SCHEMBL9905081 0.88 MAOB (0.40) PLA2G7
SCHEMBL15277255 0.86 LYN (0.43) PLA2G7
SCHEMBL15262676 0.84 CYP1A2 (0.44) PLA2G7
SCHEMBL15262648 0.81 CNR1 (0.45) SLC22A12CNR1PLA2G7CNR2
SCHEMBL9904935 0.78 PLA2G7 (0.40) SLC22A12CNR1PLA2G7
SCHEMBL9900951 0.77 PLA2G7 (0.41) CNR1PLA2G7CNR2
SCHEMBL21264409 0.74 SLC22A12 (0.45) SLC22A12PLA2G7
SCHEMBL9904769 0.72 EGLN1 (0.36)
SCHEMBL14663590 0.71 PLA2G7 (0.54) SLC22A12PLA2G7
SCHEMBL14663716 0.71 PLA2G7 (0.47) SLC22A12PLA2G7

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-8906961-B2 Glycerol levulinate ketals and their use in the manufacture of polyurethanes, and polyurethanes formed therefrom SEGETIS, INC. (US) 2014-12-09 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
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

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 SLC22A12 1934/4885CNR1 1212/4885PLA2G7 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.