SCHEMBL1107608

SCHEMBL1107608

CCOP(=O)(Cc1csc(NC(=O)Cc2cc(OC)cc(OC)c2)n1)OCC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
RAB9A P51151 1/20 0.50
TP53 P04637 1/20 0.49
MAPT P10636 4/20 0.48
GAA P10253 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
GCK P35557 1/20 0.47
KCNH2 Q12809 1/20 0.47
GLS O94925 2/20 0.47
ROCK1 Q13464 2/20 0.46
CYP3A4 P08684 1/20 0.46
PRKACA P17612 1/20 0.46
KMT2A Q03164 3/20 0.46
MAPK1 P28482 2/20 0.46
PDE5A O76074 1/20 0.46
MEN1 O00255 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
APP P05067 1/20 0.44

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
SCHEMBL1107745 0.89 GCK (0.51) ALDH1A1RAB9ATP53MAPTGAA
SCHEMBL1107536 0.83 KMT2A (0.52) RAB9ATP53MAPTGAAGCK
SCHEMBL1107558 0.83 KMT2A (0.55) ALDH1A1TP53MAPTGAAGCK
SCHEMBL1107533 0.78 GCK (0.83) GCKKCNH2
SCHEMBL1107537 0.77 GAA (0.52) ALDH1A1TP53MAPTGAAGLS
SCHEMBL1107614 0.77 GCK (0.76) ALDH1A1MAPTGAATDP1GCK
SCHEMBL1107733 0.76 GCK (0.49) ALDH1A1TP53MAPTGAATDP1
SCHEMBL1107712 0.75 GCK (0.80) RAB9AGCKKCNH2
SCHEMBL1107690 0.75 GCK (0.64) ALDH1A1MAPTGAATDP1GCK
SCHEMBL1107497 0.74 GCK (0.46) ALDH1A1RAB9AMAPTGAATDP1

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
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 ALDH1A1 4045/4885RAB9A 1193/4885TP53 4367/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 ALDH1A1 4620/4885RAB9A 1081/4885TP53 3455/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 ALDH1A1 4539/4885RAB9A 982/4885TP53 3810/4885

“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.