SCHEMBL1107618

SCHEMBL1107618

CS(=O)(=O)c1ccc(Cn2nc3cc(S(C)(=O)=O)ccc3c2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.52
PTGDR2 Q9Y5Y4 6/20 0.49
PTGER4 P35408 8/20 0.42
CCR2 P41597 1/20 0.40
LMNA P02545 1/20 0.40
MAPK8 P45983 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
SCHEMBL12594076 0.93 MCL1 (0.48) MCL1PTGDR2PTGER4CCR2MAPK8
SCHEMBL1107563 0.87 MAPK8 (0.48) MCL1PTGDR2PTGER4MAPK8
SCHEMBL1107506 0.78 PTGDR2 (0.49) MCL1PTGDR2PTGER4CCR2LMNA
SCHEMBL3763723 0.75 MAPK8 (0.55) PTGER4MAPK8
SCHEMBL25966960 0.71 PTGER4 (0.72) MCL1PTGER4
SCHEMBL1107656 0.71 PTGS2 (0.48) MCL1PTGDR2PTGER4MAPK8
SCHEMBL3429586 0.70 PTGER4 (0.55) MCL1PTGDR2PTGER4
SCHEMBL12584565 0.69 PTGER4 (0.72) MCL1PTGER4LMNA
SCHEMBL22440838 0.69 MCL1 (1.00) MCL1PTGER4
SCHEMBL7778046 0.68 PTGS2 (0.52) MAPK8

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-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
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-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 MCL1 4851/4885PTGDR2 3306/4885PTGER4 3921/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 MCL1 4845/4885PTGDR2 3544/4885PTGER4 4023/4885

“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.