SCHEMBL2646652

SCHEMBL2646652

COC(=O)C(CC1CCCCC1)c1ccc(S(C)(=O)=O)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.47
GCK P35557 4/20 0.39
CNR2 P34972 7/20 0.38
CNR1 P21554 6/20 0.38
TRPV1 Q8NER1 1/20 0.36
ABCB11 O95342 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL2646128 0.99 KCNH2 (0.48) KCNH2GCKCNR2CNR1ABCB11
SCHEMBL2646633 0.90 KCNH2 (0.45) KCNH2GCKCNR2CNR1ABCB11
SCHEMBL2648910 0.88 KCNH2 (0.47) KCNH2GCKCNR2CNR1ABCB11
SCHEMBL2645781 0.87 KCNH2 (0.48) KCNH2GCKABCB11
SCHEMBL2645963 0.87 KCNH2 (0.48) KCNH2GCKABCB11
SCHEMBL2648390 0.86 KCNH2 (0.50) KCNH2GCKSLC6A3
SCHEMBL2647285 0.85 KCNH2 (0.48) KCNH2GCKSLC6A3
SCHEMBL2646723 0.85 KCNH2 (0.62) KCNH2GCKTRPV1SLC6A3
SCHEMBL2646483 0.84 TAS1R3 (0.43) KCNH2TRPV1
SCHEMBL2649437 0.83 KCNH2 (0.49) KCNH2GCKCNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203207-A1 Heteroaromatic glucokinase activators BIZZARRO FRED T 2007-08-30 US disclosed
US-7223868-B2 Such as 2-(3-chloro-phenyl)-3-cyclopentyl-N-thiazol-2-yl-propionamide which increases insulin secretion in treatment of type II diabetes HOFFMANN-LA ROCHE INC. (US) 2007-05-29 US disclosed
US-20050261503-A1 Heteroaromatic glucokinase activators BIZZARO FRED T 2005-11-24 US disclosed
US-6951945-B2 Heteroaromatic glucokinase activators HOFFMAN-LA ROCHE INC. (US) 2005-10-04 US disclosed
EP-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 EP disclosed
US-20040014968-A1 Heteroaromatic glucokinase activators BIZZARRO FRED THOMAS (US) 2004-01-22 US disclosed
US-6610846-B1 Increase insulin secretion; type II diabetes; 2,3-Di-substituted N-heteroaromatic propionamides with 3- a phenyl group and 2- a methyl cycloalkyl ring; 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-pyridazin-3-yl-propionamide HOFFMAN-LA ROCHE INC. 2003-08-26 US disclosed
EP-1169312-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-09 EP disclosed
US-6320050-B1 2-SUBSTITUTED PHENYL-3-CYCLOALKYL SUBSTITUTED N-HETEROAROMATIC PROPIONAMIDES; USED TO INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES. HOFFMANN-LA ROCHE INC. 2001-11-20 US disclosed
US-20010039344-A1 Heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. 2001-11-08 US disclosed
WO-2000058293-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 WO 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 (4 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-20040014968-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK KCNH2 1022/4885GCK 2/4885CNR2 1679/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK KCNH2 1062/4885GCK 2/4885CNR2 1540/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK KCNH2 1022/4885GCK 2/4885CNR2 1679/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK KCNH2 1022/4885GCK 2/4885CNR2 1679/4885

“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.