SCHEMBL1107353

SCHEMBL1107353

CCOP(C)(=O)Cc1csc(NC(=O)c2cc(O[C@@H](C)CCO)cc(O[C@@H](C)Cc3ccccc3)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCK P35557 10/20 0.54
KCNH2 Q12809 1/20 0.54
RARA P10276 1/20 0.46
RARB P10826 1/20 0.46
MAPK1 P28482 2/20 0.41
SCD O00767 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE5A O76074 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38

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
SCHEMBL1107356 0.94 GCK (0.54) GCKKCNH2RARARARBMAPK1
SCHEMBL12742073 0.92 GCK (0.63) GCKKCNH2RARARARBMAPK1
SCHEMBL1107355 0.92 GCK (0.52) GCKKCNH2RARARARBMAPK1
SCHEMBL1107686 0.87 GCK (0.61) GCKKCNH2RARARARBMAPK1
SCHEMBL1107675 0.85 GCK (0.72) GCKKCNH2RARARARBMAPK1
SCHEMBL1107711 0.85 GCK (0.72) GCKKCNH2RARARARBMAPK1
SCHEMBL1107720 0.85 GCK (0.60) GCKKCNH2RARARARBMAPK1
SCHEMBL12742074 0.84 GCK (0.60) GCKKCNH2RARARARB
SCHEMBL1107341 0.84 GCK (0.76) GCKKCNH2
SCHEMBL1107346 0.83 GCK (0.57) GCKKCNH2RARARARBMAPK1

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-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

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 GCK 3/4885KCNH2 921/4885RARA 2838/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 GCK 2/4885KCNH2 634/4885RARA 2986/4885

“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.