SCHEMBL1107416

SCHEMBL1107416

CCOP(=O)(CCc1csc(N)n1)OCC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
NOS1 P29475 2/20 0.43
GABRA5 P31644 1/20 0.41
GABRB2 P47870 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARD Q03181 1/20 0.37
ATM Q13315 1/20 0.36
AOC3 Q16853 1/20 0.36
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL1107382 0.88 GABRA5 (0.44) SMN1; SMN2NOS1GABRA5GABRB2HSD17B10
SCHEMBL12742611 0.77 GABRA5 (0.42) SMN1; SMN2NOS1GABRA5GABRB2HSD17B10
SCHEMBL9071396 0.77 GABRA5 (0.42) SMN1; SMN2NOS1GABRA5GABRB2HSD17B10
SCHEMBL7860486 0.76 PNP (0.43) SMN1; SMN2NOS1GABRA5GABRB2HSD17B10
SCHEMBL1107552 0.76 RAB9A (0.46) SMN1; SMN2NOS1GABRA5GABRB2HSD17B10
SCHEMBL12593680 0.73 RAB9A (0.42) SMN1; SMN2NOS1GABRA5GABRB2HSD17B10
SCHEMBL5911714 0.73
SCHEMBL1107400 0.72 RAB9A (0.45) SMN1; SMN2NOS1GABRA5GABRB2HSD17B10
SCHEMBL2703616 0.72 PPARD (0.39) PPARD
SCHEMBL4970134 0.72 SMN1; SMN2 (0.59) SMN1; SMN2NOS1GABRA5GABRB2HSD17B10

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059522-B1 PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2014-01-08 EP disclosed
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-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 SMN1; SMN2 4603/4885NOS1 1798/4885GABRA5 4585/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 SMN1; SMN2 4710/4885NOS1 2524/4885GABRA5 4212/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 SMN1; SMN2 4647/4885NOS1 2390/4885GABRA5 4247/4885

“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.