SCHEMBL9891692

SCHEMBL9891692

CCC[P@](C)(=O)Cn1ccc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(OC3CCOC3)c2)n1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GCK P35557 20/20 0.58
KCNH2 Q12809 4/20 0.55
CYP2C9 P11712 1/20 0.45

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
SCHEMBL1107715 0.90 GCK (0.66) GCKKCNH2
SCHEMBL1107643 0.90 GCK (0.66) GCKKCNH2
SCHEMBL2668931 0.85 GCK (0.61) GCKKCNH2CYP2C9
SCHEMBL3608759 0.75 GCK (0.64) GCKKCNH2
SCHEMBL13255211 0.74 GCK (0.70) GCKKCNH2
SCHEMBL9891681 0.74 GCK (0.65) GCKKCNH2
SCHEMBL1107597 0.74 GCK (0.66) GCKKCNH2
SCHEMBL9071286 0.74 GCK (0.74) GCKKCNH2CYP2C9
SCHEMBL3608166 0.73 GCK (1.00) GCK
SCHEMBL9891682 0.73 GCK (0.66) GCKKCNH2

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 634/4885CYP2C9 2097/4885

“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.