SCHEMBL13876327

SCHEMBL13876327

CS(=O)(=O)c1ccc(-c2ccc(CNC(=O)c3ccc(Oc4ccccc4C#N)nc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.60
MAPK14 Q16539 4/20 0.52
CYP3A4 P08684 1/20 0.52
MAPK8 P45983 7/20 0.49
MAPK9 P45984 7/20 0.49
MAPK10 P53779 6/20 0.49
NR1H4 Q96RI1 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
DYRK3 O43781 1/20 0.42
PRKD3 O94806 1/20 0.42
JUN P05412 1/20 0.42
CSF1R P07333 1/20 0.42
MAPK1 P28482 1/20 0.42
RPS27 P42677 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42

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
SCHEMBL13876485 0.87 EPHX2 (0.64) EPHX2NR1H4CA1CA2OPRM1
SCHEMBL13876475 0.85 EPHX2 (0.68) EPHX2NR1H4CA1CA2OPRM1
SCHEMBL13876333 0.82 EPHX2 (0.58) EPHX2MAPK8MAPK9MAPK10NR1H4
SCHEMBL13876489 0.80 EPHX2 (0.64) EPHX2CYP3A4MAPK8MAPK9MAPK10
SCHEMBL14456994 0.79 EPHX2 (0.66) EPHX2NR1H4CA1CA2OPRM1
SCHEMBL13876720 0.77 EPHX2 (0.62) EPHX2MAPK14CYP3A4
SCHEMBL13876484 0.76 EPHX2 (0.69) EPHX2NR1H4OPRM1OPRD1OPRK1
SCHEMBL4189504 0.76 EPHX2 (0.82) EPHX2NR1H4CA1CA2
SCHEMBL13876481 0.76 EPHX2 (0.65) EPHX2MAPK14NR1H4
SCHEMBL13876375 0.75 GRM5 (0.53) EPHX2MAPK14CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-16 US disclosed
US-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-16 US disclosed
WO-2007098352-A2 SUBSTITUTED PYRIDINEAMIDE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-30 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-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors EPHX1, EPHX2, NCEH1 EPHX2 2/4885MAPK14 2991/4885CYP3A4 155/4885

“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.