SCHEMBL9891680

SCHEMBL9891680

CC(=O)c1cc(CCc2ccccc2)nn1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.52
ALOX5 P09917 3/20 0.52
EPHX2 P34913 5/20 0.46
PTGS1 P23219 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CACNA1G O43497 1/20 0.42
CACNA1H O95180 1/20 0.42
KCNH2 Q12809 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
SCHEMBL1107634 0.92 PTGS2 (0.56) PTGS2ALOX5EPHX2PTGS1CA1
SCHEMBL1107632 0.88 ALOX5 (0.50) PTGS2ALOX5EPHX2PTGS1CA9
SCHEMBL12742800 0.74 GRN (0.56) PTGS2PTGS1
SCHEMBL1107515 0.71 CA9 (0.58) PTGS2CA9
SCHEMBL17369126 0.71 ALDH1A1 (0.59)
SCHEMBL17369124 0.71 SMN1; SMN2 (0.57)
SCHEMBL9941416 0.70 ALOX5 (0.81) PTGS2ALOX5EPHX2PTGS1CA1
SCHEMBL9941289 0.68 PTGS2 (1.00) PTGS2ALOX5EPHX2PTGS1CA1
SCHEMBL9941646 0.68 ALOX5 (0.69) PTGS2ALOX5EPHX2PTGS1CA1
SCHEMBL14562013 0.67 PTGS2 (0.70) PTGS2ALOX5EPHX2PTGS1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 US disclosed
US-7910747-B2 Phosphonate and phosphinate pyrazolylamide glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 US 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-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 PTGS2 3999/4885ALOX5 3188/4885EPHX2 3598/4885

“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.