SCHEMBL9891685

SCHEMBL9891685

CCOP(=O)(Cc1csc(NC(=O)c2cc(OC(C)CC)cc(O[C@H]3CCN(C(=O)OC)C3)c2)n1)OCC

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCK P35557 7/20 0.54
KCNH2 Q12809 2/20 0.54
P2RX3 P56373 2/20 0.38
P2RX2 Q9UBL9 2/20 0.38
MAPK1 P28482 2/20 0.37
HTT P42858 1/20 0.37
GRM5 P41594 3/20 0.36
ENPP2 Q13822 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ACACB O00763 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
SCHEMBL1107642 0.94 GCK (0.52) GCKKCNH2P2RX3P2RX2MAPK1
SCHEMBL1107616 0.94 GCK (0.52) GCKKCNH2P2RX3P2RX2MAPK1
SCHEMBL1107612 0.90 GCK (0.53) GCKKCNH2P2RX3P2RX2MAPK1
SCHEMBL1107692 0.88 GCK (0.51) GCKKCNH2P2RX3P2RX2MAPK1
SCHEMBL1107649 0.88 GCK (0.51) GCKKCNH2P2RX3P2RX2MAPK1
SCHEMBL1107624 0.87 GCK (0.48) GCKKCNH2P2RX3P2RX2ACACB
SCHEMBL1107529 0.87 GCK (0.48) GCKKCNH2P2RX3P2RX2ACACB
SCHEMBL1107621 0.84 GCK (0.52) GCKKCNH2P2RX3P2RX2MAPK1
SCHEMBL1107613 0.83 GCK (0.49) GCKKCNH2P2RX3P2RX2MAPK1
SCHEMBL1107530 0.82 GCK (0.55) GCKKCNH2MAPK1HTTGRM5

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 2 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-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 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 (1 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-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 GCK 2/4885KCNH2 634/4885P2RX3 1324/4885

“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.