SCHEMBL4254929

SCHEMBL4254929

COc1cc(OC)cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)nc2)c1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.77
TEK Q02763 1/20 0.53
CRACR2A Q9BSW2 1/20 0.49
ABCB1 P08183 1/20 0.49
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
CYP1A2 P05177 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX5 P09917 1/20 0.46
TBXAS1 P24557 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
ABL1 P00519 1/20 0.46

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
SCHEMBL4252949 0.93 EPHX2 (0.78) EPHX2TEKCRACR2AGAAALDH1A1
SCHEMBL4257082 0.92 EPHX2 (0.75) EPHX2TEKCRACR2AKDM4EALOX5
SCHEMBL4245798 0.88 EPHX2 (0.91) EPHX2TEKCRACR2AALOX5TBXAS1
SCHEMBL4249945 0.88 EPHX2 (0.83) EPHX2TEKCRACR2AALOX5TBXAS1
SCHEMBL4257269 0.87 EPHX2 (0.89) EPHX2TEKCRACR2AALOX5TBXAS1
SCHEMBL4248491 0.87 EPHX2 (1.00) EPHX2TEKCRACR2AGAAABL1
SCHEMBL4249684 0.87 EPHX2 (0.81) EPHX2TEKCRACR2AALOX5TBXAS1
SCHEMBL4249932 0.87 EPHX2 (0.75) EPHX2TEKCRACR2AKDM4EALDH1A1
SCHEMBL4251066 0.86 EPHX2 (0.78) EPHX2TEKCRACR2AABL1
SCHEMBL4252824 0.86 EPHX2 (0.80) EPHX2ABL1

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 2/4885TEK 3345/4885CRACR2A 3167/4885

“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.