SCHEMBL9979626

SCHEMBL9979626

CC(C)(C)c1cc(CO)nn1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.62
EPHX2 P34913 1/20 0.54
CA1 P00915 10/20 0.47
CA2 P00918 10/20 0.47
CA9 Q16790 10/20 0.47
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
ALOX5 P09917 1/20 0.44
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL9979750 0.86 EPHX2 (0.52) PTGS2EPHX2ALOX5
SCHEMBL9979718 0.81 CNR1 (0.55) PTGS2EPHX2CA1CA2CA9
SCHEMBL15455026 0.80 EPHX2 (0.47) PTGS2EPHX2ALOX5CNR1CNR2
SCHEMBL12594103 0.78 ALDH1A1 (0.55) PTGS2EPHX2ALOX5CNR1CNR2
SCHEMBL1107620 0.78 ALDH1A1 (0.70) PTGS2EPHX2ALOX5CNR1CNR2
SCHEMBL1132436 0.77 EPHX2 (0.43) PTGS2EPHX2ALOX5
SCHEMBL9941289 0.76 PTGS2 (1.00) PTGS2EPHX2CA1CA2CA9
SCHEMBL16975879 0.76 EPHX2 (0.61) PTGS2EPHX2ALOX5CNR1CNR2
SCHEMBL3869730 0.75 CA1 (0.80) PTGS2EPHX2CA1CA2CA9
SCHEMBL1107579 0.75 CA9 (0.53) PTGS2EPHX2CA9MAPTCNR1

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 5 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-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 PTGS2 2/4885EPHX2 5/4885CA1 3868/4885

“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.