SCHEMBL4253186

SCHEMBL4253186

NC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccnc2)cn1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.64
NR3C2 P08235 2/20 0.48
HSP90AA1 P07900 1/20 0.47
PTGS1 P23219 3/20 0.47
PDPK1 O15530 2/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
EPHX2 P34913 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
SCHEMBL4253189 0.83 PTGS2 (0.67) PTGS2PTGS1PDPK1CA1CA2
SCHEMBL4245873 0.82 EPHX2 (0.63) PTGS2HSP90AA1EPHX2
SCHEMBL4253931 0.81 PTGS2 (0.66) PTGS2NR3C2PTGS1PDPK1CA1
SCHEMBL4247404 0.81 PTGS2 (0.58) PTGS2NR3C2PTGS1EPHX2
SCHEMBL4251818 0.80 PTGS2 (0.69) PTGS2NR3C2PTGS1PDPK1EPHX2
SCHEMBL7319101 0.79 PTGS2 (0.74) PTGS2PTGS1PDPK1CA1CA2
SCHEMBL4247407 0.79 EPHX2 (0.65) PTGS2NR3C2EPHX2
SCHEMBL4251821 0.78 EPHX2 (0.72) PTGS2NR3C2PTGS1EPHX2
SCHEMBL6339092 0.78 PTGS2 (1.00) PTGS2PTGS1PDPK1CA1CA2
SCHEMBL4248391 0.77 PTGS2 (0.70) PTGS2PTGS1PDPK1CA1CA2

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
EP-1960367-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-08-27 EP 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 PTGS2 158/4885NR3C2 2044/4885HSP90AA1 970/4885

“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.