Sugi Predict

Sugi Predict / Compounds / SCHEMBL1107634

SCHEMBL1107634

SCHEMBL1107634

CS(=O)(=O)c1ccc(-n2nc(CCc3ccccc3)cc2C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 6/20 0.56
▸ ALOX5 P09917 3/20 0.53
▸ EPHX2 P34913 4/20 0.47
▸ GRN P28799 2/20 0.46
▸ SORT1 Q99523 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ PTGS1 P23219 1/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ CACNA1G O43497 1/20 0.43
▸ CACNA1H O95180 1/20 0.43
▸ KCNH2 Q12809 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
SCHEMBL9891680 0.92 PTGS2 (0.52) PTGS2ALOX5EPHX2PTGS1CA1
SCHEMBL1107632 0.87 ALOX5 (0.50) PTGS2ALOX5EPHX2ALDH1A1PTGS1
SCHEMBL17369126 0.80 ALDH1A1 (0.59) GRNSORT1ALDH1A1GAA
SCHEMBL16111401 0.74 ALDH1A1 (0.59) GRNSORT1ALDH1A1GAACACNA1G
SCHEMBL15869371 0.72 ALDH1A1 (0.60) GRNSORT1ALDH1A1GAA
SCHEMBL1107515 0.72 CA9 (0.58) PTGS2ALDH1A1GAACA9
SCHEMBL9941289 0.72 PTGS2 (1.00) PTGS2ALOX5EPHX2PTGS1CA1
SCHEMBL9941416 0.71 ALOX5 (0.81) PTGS2ALOX5EPHX2PTGS1CA1
SCHEMBL9201584 0.70 PTGS2 (0.63) PTGS2PTGS1CA1CA2
SCHEMBL3864236 0.69 PTGS2 (0.90) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153677-B2 Substituted pyrazolylamide compounds useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-10 — — US disclosed
US-8153677-B2 Substituted pyrazolylamide compounds useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-10 — — US disclosed
US-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 — — US disclosed
US-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 — — US disclosed
WO-2008005964-A2 PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 — — WO disclosed
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 — — US disclosed
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 — — 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 (2 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-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, MPO, GCK PTGS2 3795/4885ALOX5 2967/4885EPHX2 3214/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 PTGS2 3837/4885ALOX5 3134/4885EPHX2 3532/4885

“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.