SCHEMBL4197572

SCHEMBL4197572

CS(=O)(=O)c1ccc(CNC(=O)c2ccnc(Oc3ccc(F)cc3)c2)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.54
NR1H4 Q96RI1 5/20 0.45
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
RORC P51449 1/20 0.42
DDR1 Q08345 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK14 Q16539 1/20 0.41
GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL13876801 0.90 EPHX2 (0.57) EPHX2NR1H4RORCDDR1
SCHEMBL4184514 0.89 EPHX2 (0.51) EPHX2NR1H4ROCK2ROCK1RORC
SCHEMBL4191984 0.87 EPHX2 (0.69) EPHX2NR1H4ROCK2ROCK1RORC
SCHEMBL4192919 0.86 EPHX2 (0.52) EPHX2ROCK2ROCK1DDR1CYP3A4
SCHEMBL13876802 0.84 EPHX2 (0.54) EPHX2NR1H4ROCK2ROCK1DDR1
SCHEMBL13876803 0.84 EPHX2 (0.56) EPHX2NR1H4RORCDDR1
SCHEMBL4188160 0.83 EPHX2 (0.57) EPHX2NR1H4DDR1
SCHEMBL13876106 0.83 EPHX2 (0.53) EPHX2NR1H4DDR1GPR119
SCHEMBL13876795 0.81 EPHX2 (0.57) EPHX2NR1H4RORCDDR1GPR119
SCHEMBL13876535 0.81 EPHX2 (0.70) EPHX2NR1H4RORC

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 4 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
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 2/4885NR1H4 142/4885ROCK2 2468/4885

“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.