SCHEMBL9941738

SCHEMBL9941738

CS(=O)(=O)c1ccc(-n2nc(CN)cc2-c2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.77
ALOX5 P09917 2/20 0.72
PTGS1 P23219 5/20 0.65
EPHX2 P34913 3/20 0.63
CA1 P00915 3/20 0.62
CA2 P00918 3/20 0.62
CA9 Q16790 3/20 0.62

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
SCHEMBL6343012 0.88 CA9 (0.79) PTGS2PTGS1EPHX2CA1CA2
SCHEMBL9210255 0.88 PTGS2 (0.67) PTGS2ALOX5PTGS1CA1CA2
SCHEMBL20741438 0.87 PTGS2 (0.77) PTGS2ALOX5PTGS1EPHX2CA1
SCHEMBL9941289 0.87 PTGS2 (1.00) PTGS2ALOX5PTGS1EPHX2CA1
SCHEMBL9941416 0.83 ALOX5 (0.81) PTGS2ALOX5PTGS1EPHX2CA1
SCHEMBL15463064 0.83 ALOX5 (0.73) PTGS2ALOX5PTGS1EPHX2CA1
SCHEMBL3864236 0.82 PTGS2 (0.90) PTGS2ALOX5PTGS1EPHX2CA1
SCHEMBL3866543 0.82 PTGS2 (0.70) PTGS2ALOX5PTGS1EPHX2CA1
SCHEMBL17369546 0.81 ALOX5 (1.00) PTGS2ALOX5PTGS1EPHX2
SCHEMBL15454986 0.81 PTGS2 (0.68) PTGS2ALOX5PTGS1EPHX2CA1

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 8 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
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 PTGS2 2/4885ALOX5 44/4885PTGS1 4/4885

“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.