SCHEMBL9891666

SCHEMBL9891666

C=P(Cc1cnc(N)s1)(OCC)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 3/20 0.42
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 2/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EPHX2 P34913 1/20 0.38
NOS1 P29475 1/20 0.37
TSHR P16473 1/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL9891665 0.83 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL1107410 0.82 SMN1; SMN2 (0.51) SMN1; SMN2POLBALDH1A1MAPTHSD17B10
SCHEMBL232903 0.72
SCHEMBL5837395 0.69 SMN1; SMN2 (0.51) SMN1; SMN2POLBALDH1A1MAPTHSD17B10
SCHEMBL3188740 0.69
SCHEMBL2812175 0.68 SMN1; SMN2 (0.46) SMN1; SMN2POLBALDH1A1MAPTHSD17B10
SCHEMBL17273537 0.68 SMN1; SMN2 (0.46) SMN1; SMN2POLBALDH1A1MAPTHSD17B10
SCHEMBL1107411 0.68 SMN1; SMN2 (0.43) SMN1; SMN2POLBALDH1A1MAPTHSD17B10
SCHEMBL27621107 0.68
SCHEMBL2666833 0.67

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 3 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-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

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 SMN1; SMN2 4603/4885POLB 1769/4885ALDH1A1 4045/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 SMN1; SMN2 4647/4885POLB 2797/4885ALDH1A1 4539/4885

“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.