SCHEMBL1865137

SCHEMBL1865137

CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCK P35557 14/20 0.58
KMT2A Q03164 2/20 0.43
EPHX1 P07099 1/20 0.42
MEN1 O00255 1/20 0.41
KCNH2 Q12809 2/20 0.41

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
SCHEMBL1865136 1.00 GCK (0.58) GCKKMT2AEPHX1MEN1KCNH2
SCHEMBL2646260 0.99 GCK (0.57) GCKKMT2AEPHX1MEN1KCNH2
SCHEMBL2646180 0.99 GCK (0.57) GCKKMT2AEPHX1MEN1KCNH2
SCHEMBL1107388 0.89 GCK (0.58) GCKKMT2AEPHX1MEN1KCNH2
SCHEMBL2651394 0.88 GCK (0.61) GCK
SCHEMBL2652176 0.88 GCK (0.61) GCK
SCHEMBL2650823 0.87 GCK (0.57) GCKKMT2AEPHX1MEN1KCNH2
SCHEMBL2647881 0.87 GCK (0.47) GCKKMT2A
SCHEMBL2667236 0.87 GCK (0.57) GCKKMT2AEPHX1KCNH2
SCHEMBL18677581 0.87 GCK (0.46) GCKKMT2AMEN1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059522-B1 PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2014-01-08 EP disclosed
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
US-8148412-B2 e.g. {-[3-Cyclopentyl-2-(4-methane sulfonyl-phenyl)-propionylamino]-5-methyl-thiazol-4-yl}-acetic acid ethyl ester; antidiabetic and hypoglycemic agent; non-insulin dependent diabetis, obesity, impaired glucose tolerance, eating disorder, dyslipidemia, hyperlipidemia, hypertension NOVO NORDISK A/S (DK) 2012-04-03 US disclosed
US-20110130402-A1 HETEROAROMATIC GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2011-06-02 US disclosed
US-7935699-B2 Pyrazole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-03 US disclosed
EP-2261216-A2 Pyrazoles as glucokinase activators F. Hoffmann-La Roche AG (CH) 2010-12-15 EP disclosed
US-20090281142-A1 THIAZOLE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-12 US disclosed
CN-101541756-A Pyrazoles as glucokinase activators HOFFMANN LA ROCHE (CH) 2009-09-23 CN disclosed
EP-2046755-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. Hoffmann-Roche AG (CH) 2009-04-15 EP disclosed
EP-1572670-A1 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-14 EP disclosed
EP-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 EP disclosed
US-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators CHEN SHAOQING (US) 2004-07-29 US disclosed
WO-2004052869-A1 5-SUBSTITUTED-PYRAZINE OR PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-24 WO 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 (6 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 GCK 2/4885KMT2A 1970/4885EPHX1 4698/4885
US-20090281142-A1 THIAZOLE DERIVATIVE GK, GCKR, AK2 GCK 5/4885KMT2A 1717/4885EPHX1 4144/4885
US-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators GCK, GCKR, GALK1 GCK 1/4885KMT2A 2865/4885EPHX1 4291/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 GCK 2/4885KMT2A 2260/4885EPHX1 3684/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK GCK 2/4885KMT2A 2763/4885EPHX1 4716/4885
US-20110130402-A1 HETEROAROMATIC GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK GCK 1/4885KMT2A 3351/4885EPHX1 4501/4885

“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.