SCHEMBL4246247

SCHEMBL4246247

O=C(Nc1ccc(-n2nc(-c3nccs3)cc2C(F)(F)F)nn1)c1cccc(-c2ccc(F)nc2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.57
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.37
NTRK1 P04629 1/20 0.36
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALOX5 P09917 1/20 0.35
TBXAS1 P24557 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
GRM5 P41594 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGER1 P34995 1/20 0.34

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
SCHEMBL4255876 0.88 EPHX2 (0.75) EPHX2CSNK1DCSNK1ENTRK1ALOX5
SCHEMBL4245839 0.85 EPHX2 (0.56) EPHX2ALOX15TSHRCASP1NPSR1
SCHEMBL4246313 0.84 EPHX2 (0.58) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13702413 0.84 EPHX2 (0.54) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4248891 0.83 EPHX2 (0.54) EPHX2GRM5
SCHEMBL4251824 0.82 EPHX2 (0.56) EPHX2
SCHEMBL4246068 0.80 EPHX2 (0.86) EPHX2CSNK1DCSNK1ENTRK1ALOX15
SCHEMBL4251829 0.80 EPHX2 (0.75) EPHX2CSNK1DCSNK1EALOX5TBXAS1
SCHEMBL4252199 0.79 EPHX2 (0.74) EPHX2CSNK1DCSNK1EALOX15TSHR
SCHEMBL13701957 0.79 EPHX2 (0.79) EPHX2CSNK1DCSNK1ENTRK1ALOX15

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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
WO-2007067836-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-14 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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX EPHX2 2/4885CSNK1D 4465/4885CSNK1E 4145/4885

“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.