SCHEMBL1107350

SCHEMBL1107350

CCOP(C)(=O)Cc1csc(NC(=O)c2cc(OC(C)C)cc(OC3CCN(S(C)(=O)=O)CC3)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 13/20 0.50
KCNH2 Q12809 2/20 0.50
GRM5 P41594 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 2/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
F10 P00742 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
PRSS3 P35030 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL1107527 0.93 GCK (0.56) GCKKCNH2GRM5NPC1RAB9A
SCHEMBL1107689 0.89 GCK (0.55) GCKKCNH2GRM5MAPK1HTT
SCHEMBL1107530 0.89 GCK (0.55) GCKKCNH2GRM5MAPK1HTT
SCHEMBL1107346 0.85 GCK (0.57) GCKKCNH2MAPK1HTTALDH1A1
SCHEMBL1107621 0.83 GCK (0.52) GCKKCNH2GRM5MAPK1HTT
SCHEMBL1107612 0.82 GCK (0.53) GCKKCNH2MAPK1HTTPRSS1
SCHEMBL1107622 0.80 GCK (0.54) GCKKCNH2GRM5MAPK1HTT
SCHEMBL1107649 0.80 GCK (0.51) GCKKCNH2GRM5MAPK1HTT
SCHEMBL1107692 0.80 GCK (0.51) GCKKCNH2GRM5MAPK1HTT
SCHEMBL1107613 0.80 GCK (0.49) GCKKCNH2MAPK1HTT

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 921/4885GRM5 1124/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 GCK 2/4885KCNH2 634/4885GRM5 1273/4885

“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.