SCHEMBL1107656

SCHEMBL1107656

COC(=O)c1nn(Cc2ccc(S(C)(=O)=O)cc2)c2cc(S(C)(=O)=O)ccc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.48
PTGDR2 Q9Y5Y4 5/20 0.45
MAPK8 P45983 5/20 0.44
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
PTGER4 P35408 1/20 0.40
MCL1 Q07820 1/20 0.40
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
SLC22A12 Q96S37 1/20 0.39

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
SCHEMBL3428140 0.88 PTGER4 (0.52) PTGDR2MAPK8PTGER4MCL1
SCHEMBL1107506 0.88 PTGDR2 (0.49) PTGDR2PTGER4MCL1SLC22A12
SCHEMBL5317731 0.83 PTGS2 (0.45) PTGS2PTGDR2MAPK8MCL1SLC22A12
SCHEMBL5320914 0.82 PTGS2 (0.44) PTGS2PTGDR2MAPK8
SCHEMBL5316317 0.82 MAPT (0.45) PTGS2PTGDR2
SCHEMBL5346799 0.82 PTGS2 (0.44) PTGS2PTGDR2
SCHEMBL1107563 0.80 MAPK8 (0.48) PTGS2PTGDR2MAPK8MAPK9MAPK10
SCHEMBL3430873 0.78 PTGER4 (0.51) PTGER4MCL1
SCHEMBL3429586 0.76 PTGER4 (0.55) PTGS2PTGDR2PTGER4MCL1
SCHEMBL13671617 0.75 CNR1 (0.50) PTGS2PTGDR2PTGER4MCL1AURKA

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 11 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-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-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
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
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
WO-2008005964-A2 PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 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 (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 PTGS2 3795/4885PTGDR2 3826/4885MAPK8 76/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 PTGS2 3837/4885PTGDR2 3306/4885MAPK8 60/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 PTGS2 3999/4885PTGDR2 3544/4885MAPK8 53/4885

“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.