SCHEMBL13876802

SCHEMBL13876802

CS(=O)(=O)c1ccc(CNC(=O)c2ccnc(Oc3cccc(OC(F)(F)F)c3)c2)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.54
NR1H4 Q96RI1 2/20 0.50
DDR1 Q08345 3/20 0.49
GPR119 Q8TDV5 1/20 0.44
NAMPT P43490 6/20 0.42
LOX P28300 2/20 0.41
LOXL2 Q9Y4K0 2/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
MAPK14 Q16539 1/20 0.40
DGAT2 Q96PD7 1/20 0.40
TP53 P04637 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 0.92 EPHX2 (0.57) EPHX2NR1H4DDR1
SCHEMBL13876796 0.92 EPHX2 (0.55) EPHX2NR1H4DDR1GPR119NAMPT
SCHEMBL13876534 0.88 EPHX2 (0.68) EPHX2NR1H4DDR1NAMPT
SCHEMBL13876803 0.88 EPHX2 (0.56) EPHX2NR1H4DDR1TP53
SCHEMBL13876106 0.85 EPHX2 (0.53) EPHX2NR1H4DDR1GPR119LOX
SCHEMBL4197572 0.84 EPHX2 (0.54) EPHX2NR1H4DDR1GPR119ROCK2
SCHEMBL13876795 0.84 EPHX2 (0.57) EPHX2NR1H4DDR1GPR119
SCHEMBL13876785 0.84 EPHX2 (0.53) EPHX2NR1H4DDR1LOXLOXL2
SCHEMBL4184514 0.81 EPHX2 (0.51) EPHX2NR1H4DDR1GPR119ROCK2
SCHEMBL13876430 0.80 EPHX2 (0.71) EPHX2NR1H4

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 2 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

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 142/4885DDR1 3354/4885

“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.