SCHEMBL1107559

SCHEMBL1107559

CCOP(=O)(Cc1csc(NC(=O)c2ccc3c(c2)OCCO3)n1)OCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.65
RAB9A P51151 8/20 0.65
HSP90AA1 P07900 1/20 0.65
SMN1; SMN2 Q16637 5/20 0.63
MAPT P10636 7/20 0.53
KDM4E B2RXH2 4/20 0.53
MAPK1 P28482 1/20 0.53
PTGER3 P43115 2/20 0.50
PAX8 Q06710 1/20 0.49
APEX1 P27695 1/20 0.48
PPARG P37231 1/20 0.48
BLM P54132 1/20 0.48
ATM Q13315 1/20 0.48
NCOA2 Q15596 1/20 0.48
NCOA1 Q15788 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NR2E3 Q9Y5X4 1/20 0.48
NCOR2 Q9Y618 1/20 0.48

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
SCHEMBL1107672 0.77 GCK (0.57) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL1107548 0.75 GCK (0.52) SMN1; SMN2MAPTMAPK1TDP1GCK
SCHEMBL1107690 0.75 GCK (0.64) MAPTMAPK1TDP1GCKKCNH2
SCHEMBL1107577 0.73 GCK (0.71) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL1107497 0.72 GCK (0.46) RAB9ASMN1; SMN2MAPTKDM4EMAPK1
SCHEMBL1107726 0.72 GCK (0.82) GCKKCNH2
SCHEMBL1107591 0.72 GCK (0.71) MAPK1GCKKCNH2
SCHEMBL1133371 0.71 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL24101684 0.71 NPC1 (0.80) NPC1RAB9AHSP90AA1SMN1; SMN2MAPT
SCHEMBL1107722 0.71 GCK (0.54) NPC1RAB9AHSP90AA1SMN1; SMN2MAPT

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
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 NPC1 3660/4885RAB9A 1193/4885HSP90AA1 4576/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 NPC1 3229/4885RAB9A 1081/4885HSP90AA1 4654/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 NPC1 3184/4885RAB9A 982/4885HSP90AA1 4597/4885

“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.