SCHEMBL2668898

SCHEMBL2668898

CCOP(=O)(Cc1csc(NC(=O)c2cc(CCc3ccccc3)nn2-c2ccc(S(C)(=O)=O)cc2)n1)OCC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.49
KCNH2 Q12809 2/20 0.49
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
MAPK14 Q16539 5/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
DDR2 Q16832 3/20 0.41
EPHX2 P34913 1/20 0.39
ALOX5 P09917 1/20 0.39
AOC3 Q16853 2/20 0.38
PTGS2 P35354 3/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL1134258 0.85 GCK (0.52) GCKKCNH2ALDH1A1HPGDMAPK14
SCHEMBL1107511 0.78 KCNH2 (0.52) GCKKCNH2ALDH1A1MAPK14CYP1A2
SCHEMBL1107632 0.75 ALOX5 (0.50) ALDH1A1EPHX2ALOX5PTGS2
SCHEMBL1107508 0.74 KCNH2 (0.73) GCKKCNH2ALDH1A1MAPK14CYP1A2
SCHEMBL1107634 0.74 PTGS2 (0.56) KCNH2ALDH1A1EPHX2ALOX5PTGS2
SCHEMBL1107606 0.74 F10 (0.46) GCKKCNH2ALDH1A1HPGDPTGS2
SCHEMBL9891680 0.73 PTGS2 (0.52) KCNH2EPHX2ALOX5PTGS2
SCHEMBL1107726 0.73 GCK (0.82) GCKKCNH2
SCHEMBL1107591 0.73 GCK (0.71) GCKKCNH2
SCHEMBL1139543 0.72 GCK (0.52) GCKKCNH2ALDH1A1CYP1A2CYP2D6

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-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 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-7910747-B2 Phosphonate and phosphinate pyrazolylamide glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 US disclosed
US-7910747-B2 Phosphonate and phosphinate pyrazolylamide glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 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 (3 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 GCK 3/4885KCNH2 921/4885ALDH1A1 4045/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 GCK 2/4885KCNH2 716/4885ALDH1A1 4620/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 GCK 2/4885KCNH2 634/4885ALDH1A1 4539/4885

“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.