SCHEMBL4617987

SCHEMBL4617987

O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccnc(F)c1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 18/20 0.69
CYP2C9 P11712 3/20 0.55
CYP2C19 P33261 3/20 0.55
CYP2J2 P51589 2/20 0.55
FOLH1 Q04609 1/20 0.53
SLC6A3 Q01959 1/20 0.49

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
SCHEMBL5947980 0.89 EPHX2 (0.67) EPHX2CYP2C9CYP2C19CYP2J2SLC6A3
SCHEMBL5948066 0.88 EPHX2 (0.66) EPHX2CYP2C9CYP2C19CYP2J2SLC6A3
SCHEMBL5948059 0.88 EPHX2 (0.66) EPHX2CYP2C9CYP2C19CYP2J2SLC6A3
SCHEMBL5948178 0.84 EPHX2 (0.63) EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL5947741 0.84 EPHX2 (0.75) EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL5947660 0.84 EPHX2 (0.76) EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL5947879 0.83 EPHX2 (0.60) EPHX2CYP2C9CYP2C19CYP2J2SLC6A3
SCHEMBL5947835 0.83 EPHX2 (0.60) EPHX2CYP2C9CYP2C19CYP2J2SLC6A3
SCHEMBL5947658 0.82 EPHX2 (1.00) EPHX2CYP2C9CYP2C19CYP2J2SLC6A3
SCHEMBL5947822 0.82 EPHX2 (0.59) EPHX2CYP2C9CYP2C19CYP2J2SLC6A3

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
EP-1885697-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-13 EP disclosed
US-20060276515-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-07 US disclosed
WO-2006121719-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) 2006-11-16 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-20060276515-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 EPHX2 2/4885CYP2C9 477/4885CYP2C19 1179/4885

“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.