SCHEMBL1107679

SCHEMBL1107679

COC[C@H](C)Oc1cc(OCCSC)cc(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCK P35557 19/20 0.50
RARA P10276 1/20 0.47
RARB P10826 1/20 0.47
PLA2G2A P14555 1/20 0.46
RARG P13631 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
SCHEMBL9891690 0.90 GCK (0.43) GCKRARARARBRARG
SCHEMBL1107576 0.89 GCK (0.44) GCKRARARARBRARG
SCHEMBL1107734 0.86 GCK (0.57) GCKRARARARBPLA2G2ARARG
SCHEMBL1107581 0.82 GCK (0.43) GCKRARARARBRARG
SCHEMBL1107709 0.82 GCK (0.55) GCKRARARARBRARG
SCHEMBL1107706 0.82 GCK (0.63) GCKRARARARBRARG
SCHEMBL1107658 0.81 GCK (0.49) GCKRARARARBPLA2G2ARARG
SCHEMBL1107565 0.80 GCK (0.48) GCKRARARARBRARG
SCHEMBL1107666 0.80 GCK (0.58) GCKRARARARB
SCHEMBL1107698 0.79 MEN1 (0.68) GCKRARARARB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153677-B2 Substituted pyrazolylamide compounds useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-10 US disclosed
US-8153677-B2 Substituted pyrazolylamide compounds useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-10 US disclosed
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 US disclosed
WO-2008005964-A2 PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 WO disclosed
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 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-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 GCK 2/4885RARA 2614/4885RARB 2753/4885

“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.