SCHEMBL1107650

SCHEMBL1107650

CCOP(=O)(Cc1csc(NC(=O)c2cc(OC(C)C)cc(O[C@@H]3CCNC3)c2)n1)OCC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCK P35557 9/20 0.52
KCNH2 Q12809 1/20 0.52
MAPK1 P28482 2/20 0.40
HTT P42858 1/20 0.40
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
KLKB1 P03952 1/20 0.36
PRSS1 P07477 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDE5A O76074 1/20 0.35

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
SCHEMBL1107684 1.00 GCK (0.52) GCKKCNH2MAPK1HTTP2RX3
SCHEMBL1107622 0.95 GCK (0.54) GCKKCNH2MAPK1HTTF2
SCHEMBL1107541 0.87 GCK (0.55) GCKKCNH2MAPK1HTTLMNA
SCHEMBL1107690 0.87 GCK (0.64) GCKKCNH2MAPK1HTTLMNA
SCHEMBL1107621 0.85 GCK (0.52) GCKKCNH2MAPK1HTTP2RX3
SCHEMBL1107612 0.85 GCK (0.53) GCKKCNH2MAPK1HTTP2RX3
SCHEMBL1107527 0.84 GCK (0.56) GCKKCNH2MAPK1HTTPRSS1
SCHEMBL1107692 0.84 GCK (0.51) GCKKCNH2MAPK1HTTP2RX3
SCHEMBL1107649 0.84 GCK (0.51) GCKKCNH2MAPK1HTTP2RX3
SCHEMBL1107642 0.83 GCK (0.52) GCKKCNH2MAPK1HTTP2RX3

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 9 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
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

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 921/4885MAPK1 565/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 GCK 2/4885KCNH2 716/4885MAPK1 655/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 GCK 2/4885KCNH2 634/4885MAPK1 558/4885

“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.