SCHEMBL2669024

SCHEMBL2669024

CC(=O)/C(=C/C1CCCC1)c1ccc(S(C)(=O)=O)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCK P35557 7/20 0.53
KCNH2 Q12809 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
KMT2A Q03164 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
CNR2 P34972 1/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL1171737 0.91 GCK (0.52) GCKKCNH2TAS1R3TAS1R2PIK3CD
SCHEMBL1171734 0.91 GCK (0.52) GCKKCNH2TAS1R3TAS1R2PIK3CD
SCHEMBL1171340 0.90 GCK (0.51) GCKKCNH2TAS1R3TAS1R2PIK3CD
SCHEMBL1171343 0.90 GCK (0.51) GCKKCNH2TAS1R3TAS1R2PIK3CD
SCHEMBL1171342 0.89 GCK (0.50) GCKKCNH2TAS1R3TAS1R2KMT2A
SCHEMBL1107285 0.88 GCK (0.49) GCKKCNH2CNR2
SCHEMBL2647244 0.85 GCK (0.49) GCKKCNH2TAS1R3KMT2ATSHR
SCHEMBL2647247 0.85 GCK (0.49) GCKKCNH2TAS1R3KMT2ATSHR
SCHEMBL9892883 0.85 GCK (0.39) GCKKMT2AMEN1
SCHEMBL1171740 0.84 GCK (0.48) GCKKMT2ACNR2MEN1

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-7910747-B2 Phosphonate and phosphinate pyrazolylamide glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 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 2/4885KCNH2 716/4885TAS1R3 4289/4885

“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.