SCHEMBL1107478

SCHEMBL1107478

CCOP(=O)(CC(O)c1csc(N)n1)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 2/20 0.36
BACE1 P56817 1/20 0.34
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GABRA5 P31644 1/20 0.33
GABRB2 P47870 1/20 0.33
HPGD P15428 1/20 0.32
NOS1 P29475 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1107438 0.84 MAPT (0.37) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL9892935 0.80 MAPT (0.34) MAPTNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL1141152 0.74 PI4KB (0.39) SMN1; SMN2
SCHEMBL972952 0.74 MAPT (0.38) MAPTMAPK1TSHRPOLBPPARD
SCHEMBL1107382 0.72 GABRA5 (0.44) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL12574324 0.71 ALDH1A1 (0.44) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL11972348 0.71 ALDH1A1 (0.55) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL8401638 0.70 HSD17B10 (0.39) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL1107416 0.70 SMN1; SMN2 (0.43) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL1107400 0.69 RAB9A (0.45) MAPTALDH1A1MEN1KMT2ANPC1

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-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
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 (2 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 MAPT 4710/4885ALDH1A1 4045/4885MEN1 3153/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 MAPT 4511/4885ALDH1A1 4620/4885MEN1 3654/4885

“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.