SCHEMBL13702017

SCHEMBL13702017

O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1ccc(=O)n(CCN2CCCC2=O)c1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.72
ALOX5 P09917 1/20 0.72
TBXAS1 P24557 1/20 0.72
SLC6A3 Q01959 1/20 0.72
SIGMAR1 Q99720 1/20 0.72
BRAF P15056 1/20 0.41
NTRK1 P04629 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
ABL1 P00519 3/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL13701879 0.91 EPHX2 (0.77) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13701903 0.90 EPHX2 (0.76) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13701972 0.88 EPHX2 (0.75) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13701883 0.88 EPHX2 (0.81) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13701969 0.87 EPHX2 (0.85) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13702009 0.86 EPHX2 (0.79) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13702018 0.86 EPHX2 (0.72) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13701869 0.86 EPHX2 (0.83) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13701902 0.86 EPHX2 (0.71) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13701881 0.86 EPHX2 (0.88) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1

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
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 2/4885ALOX5 60/4885TBXAS1 221/4885

“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.