SCHEMBL1107552

SCHEMBL1107552

CCOP(C)(=O)OCc1csc(N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
GABRA5 P31644 1/20 0.45
GABRB2 P47870 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 3/20 0.44
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 2/20 0.40
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NOS1 P29475 1/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL1107550 0.83 PKM (0.44) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL9071396 0.80 GABRA5 (0.42) RAB9ANPC1SMN1; SMN2GABRA5GABRB2
SCHEMBL12742611 0.80 GABRA5 (0.42) RAB9ANPC1SMN1; SMN2GABRA5GABRB2
SCHEMBL1107382 0.78 GABRA5 (0.44) RAB9ANPC1SMN1; SMN2GABRA5GABRB2
SCHEMBL1107416 0.76 SMN1; SMN2 (0.43) RAB9ANPC1SMN1; SMN2GABRA5GABRB2
SCHEMBL4873752 0.75 RAB9A (0.54) RAB9ANPC1SMN1; SMN2GABRA5GABRB2
SCHEMBL13900769 0.74 RAB9A (0.53) RAB9ANPC1SMN1; SMN2GABRA5GABRB2
SCHEMBL12593680 0.73 RAB9A (0.42) RAB9ANPC1SMN1; SMN2GABRA5GABRB2
SCHEMBL1107400 0.72 RAB9A (0.45) RAB9ANPC1SMN1; SMN2GABRA5GABRB2
SCHEMBL972014 0.72 PKM (0.30) PKM

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 5 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-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-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

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 RAB9A 1193/4885NPC1 3660/4885SMN1; SMN2 4603/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 RAB9A 1081/4885NPC1 3229/4885SMN1; SMN2 4710/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 RAB9A 982/4885NPC1 3184/4885SMN1; SMN2 4647/4885

“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.