SCHEMBL4245799

SCHEMBL4245799

O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1cccc(OCCc2ccncc2)c1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.70
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
TEK Q02763 5/20 0.47
CRACR2A Q9BSW2 1/20 0.46
NTRK1 P04629 1/20 0.44
ALOX5 P09917 1/20 0.43
TBXAS1 P24557 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL4249331 0.95 EPHX2 (0.75) EPHX2TSHRMAPK1TEKCRACR2A
SCHEMBL4257268 0.90 EPHX2 (0.73) EPHX2TSHRMAPK1TEKCRACR2A
SCHEMBL4252847 0.90 EPHX2 (0.70) EPHX2TSHRMAPK1TEKCRACR2A
SCHEMBL4246261 0.89 EPHX2 (0.72) EPHX2TSHRMAPK1TEKCRACR2A
SCHEMBL4249932 0.88 EPHX2 (0.75) EPHX2TSHRMAPK1TEKCRACR2A
SCHEMBL4246916 0.88 EPHX2 (0.77) EPHX2TEK
SCHEMBL4253826 0.87 EPHX2 (0.68) EPHX2TSHRMAPK1TEKCRACR2A
SCHEMBL4251066 0.87 EPHX2 (0.78) EPHX2TEKCRACR2A
SCHEMBL4252949 0.87 EPHX2 (0.78) EPHX2TSHRMAPK1TEKCRACR2A
SCHEMBL4252829 0.86 EPHX2 (0.82) EPHX2MAPK1TEKCRACR2A

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 2/4885TSHR 3976/4885MAPK1 3943/4885

“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.