SCHEMBL9941537

SCHEMBL9941537

CCOC(=O)Nc1cc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 5/20 0.71
PTGS2 P35354 11/20 0.69
EPHX2 P34913 8/20 0.69
PTGS1 P23219 8/20 0.69
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
CHRNA7 P36544 2/20 0.57
CYP2C9 P11712 1/20 0.56

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
SCHEMBL6350558 0.85 PTGS2 (0.66) CA9PTGS2EPHX2PTGS1CA1
SCHEMBL6341958 0.83 PTGS2 (0.67) CA9PTGS2EPHX2PTGS1CA1
SCHEMBL9941851 0.83 CA9 (1.00) CA9PTGS2EPHX2PTGS1CA1
SCHEMBL6353808 0.81 PTGS2 (0.70) CA9PTGS2EPHX2PTGS1CA1
SCHEMBL6344713 0.80 PTGS2 (0.63) CA9PTGS2EPHX2PTGS1CA1
SCHEMBL6856152 0.80 PTGS2 (0.63) CA9PTGS2EPHX2PTGS1CA1
SCHEMBL15460595 0.79 PTGS2 (0.75) CA9PTGS2EPHX2PTGS1CA1
SCHEMBL8688440 0.79 PTGS2 (0.61) CA9PTGS2EPHX2PTGS1CA1
SCHEMBL5430597 0.78 PTGS2 (0.59) CA9PTGS2EPHX2PTGS1CA1
SCHEMBL6344046 0.78 PTGS2 (0.66) CA9PTGS2EPHX2PTGS1CA1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096532-B2 Pyrazole inhibitors of COX-2 and sEH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-08-04 US disclosed
US-9096532-B2 Pyrazole inhibitors of COX-2 and sEH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-08-04 US disclosed
US-9096532-B2 Pyrazole inhibitors of COX-2 and sEH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-08-04 US disclosed
US-20140038923-A1 PYRAZOLE INHIBITORS OF COX-2 AND SEH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-06 US disclosed
US-20140038923-A1 PYRAZOLE INHIBITORS OF COX-2 AND SEH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-06 US disclosed
US-20140038923-A1 PYRAZOLE INHIBITORS OF COX-2 AND SEH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-06 US disclosed
WO-2012082647-A2 PYRAZOLE INHIBITORS OF COX-2 AND sEH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-06-21 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-20140038923-A1 PYRAZOLE INHIBITORS OF COX-2 AND SEH PTGES2, PTGS2, PTGES3 CA9 4178/4885PTGS2 2/4885EPHX2 5/4885

“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.