SCHEMBL5947745

SCHEMBL5947745

NC(=O)c1ccc(C(CCNC(=O)c2ccccc2)c2ccc(F)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 18/20 0.67
TPSAB1 Q15661 1/20 0.56
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2J2 P51589 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
ALOX5 P09917 2/20 0.54

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
SCHEMBL5948021 0.92 EPHX2 (0.79) EPHX2CYP2C9CYP2C19CYP2J2NPC1
SCHEMBL5947734 0.87 EPHX2 (0.67) EPHX2CYP2C9CYP2C19CYP2J2NPC1
SCHEMBL5947835 0.81 EPHX2 (0.60) EPHX2CYP2C9CYP2C19CYP2J2ALOX5
SCHEMBL5947879 0.81 EPHX2 (0.60) EPHX2CYP2C9CYP2C19CYP2J2ALOX5
SCHEMBL5948102 0.81 EPHX2 (1.00) EPHX2TPSAB1CYP2C9CYP2C19NPC1
SCHEMBL5948057 0.81 EPHX2 (0.68) EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL5948076 0.81 EPHX2 (0.91) EPHX2CYP2C9CYP2C19CYP2J2ALOX5
SCHEMBL5947660 0.80 EPHX2 (0.76) EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL5948050 0.79 EPHX2 (1.00) EPHX2CYP2C9CYP2C19CYP2J2ALOX5
SCHEMBL4638764 0.79 EPHX2 (0.87) EPHX2TPSAB1CYP2C9CYP2C19NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276515-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-07 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-20060276515-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 EPHX2 2/4885TPSAB1 615/4885CYP2C9 477/4885

“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.