SCHEMBL4249945

SCHEMBL4249945

O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1cc(F)cc(F)c1

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.83
CRACR2A Q9BSW2 3/20 0.52
NTRK1 P04629 1/20 0.47
TEK Q02763 2/20 0.46
ALOX5 P09917 1/20 0.45
TBXAS1 P24557 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
ABL1 P00519 1/20 0.44
PDGFRB P09619 1/20 0.44
BCR P11274 1/20 0.44
PDGFRA P16234 1/20 0.44

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
SCHEMBL4248610 0.93 EPHX2 (0.83) EPHX2CRACR2ANTRK1TEK
SCHEMBL4245798 0.92 EPHX2 (0.91) EPHX2CRACR2ATEKALOX5TBXAS1
SCHEMBL4257269 0.91 EPHX2 (0.89) EPHX2CRACR2ANTRK1TEKALOX5
SCHEMBL4248491 0.91 EPHX2 (1.00) EPHX2CRACR2ATEKABL1PDGFRB
SCHEMBL4249684 0.90 EPHX2 (0.81) EPHX2CRACR2ATEKALOX5TBXAS1
SCHEMBL4250527 0.88 EPHX2 (0.84) EPHX2CRACR2ATEKABL1BCR
SCHEMBL4249339 0.88 EPHX2 (0.84) EPHX2CRACR2AALOX5TBXAS1SLC6A3
SCHEMBL4254929 0.88 EPHX2 (0.77) EPHX2CRACR2ATEKALOX5TBXAS1
SCHEMBL4255008 0.87 EPHX2 (0.80) EPHX2CRACR2ANTRK1TEKALOX5
SCHEMBL4246095 0.87 EPHX2 (0.83) EPHX2CRACR2ATEKABL1BCR

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 2/4885CRACR2A 3167/4885NTRK1 4187/4885

“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.