SCHEMBL2646668

SCHEMBL2646668

O=C(Nc1nccs1)C(CC1CCCC1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 9/20 0.67
FFAR2 O15552 5/20 0.65
KCNH2 Q12809 1/20 0.61
KCNA5 P22460 1/20 0.48
POLB P06746 1/20 0.47
EPHX2 P34913 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 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
SCHEMBL2645222 0.87 GCK (0.73) GCKFFAR2KCNH2EPHX2
SCHEMBL2646023 0.87 GCK (0.70) GCKFFAR2KCNH2POLBEPHX2
SCHEMBL2649058 0.85 GCK (0.68) GCKFFAR2KCNH2EPHX2CYP1A2
SCHEMBL2644739 0.84 GCK (0.76) GCKFFAR2KCNH2POLBEPHX2
SCHEMBL2647226 0.84 GCK (0.67) GCKFFAR2KCNH2POLBEPHX2
SCHEMBL2646466 0.84 GCK (0.72) GCKFFAR2KCNH2POLBEPHX2
SCHEMBL2645834 0.83 GCK (0.77) GCKFFAR2KCNH2POLB
SCHEMBL2645293 0.83 GCK (0.74) GCKFFAR2KCNH2POLBEPHX2
SCHEMBL2646757 0.83 FFAR2 (0.91) GCKFFAR2KCNH2EPHX2CYP1A2
SCHEMBL2645871 0.83 GCK (0.74) GCKFFAR2KCNH2POLBEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951945-B2 Heteroaromatic glucokinase activators HOFFMAN-LA ROCHE INC. (US) 2005-10-04 US claimed
EP-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 EP claimed
CN-1151140-C Glucokinase activators - 2004-05-26 CN claimed
US-20040014968-A1 Heteroaromatic glucokinase activators BIZZARRO FRED THOMAS (US) 2004-01-22 US claimed
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 CN claimed
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 claimed
US-20010039344-A1 Heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. 2001-11-08 US claimed
US-20200188394-A1 TREATMENT OF LIVER DISEASE UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2020-06-18 US disclosed
EP-3558375-A1 TREATMENT OF LIVER DISEASE University of Newcastle Upon Tyne (GB) 2019-10-30 EP disclosed
WO-2018115845-A1 TREATMENT OF LIVER DISEASE UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2018-06-28 WO disclosed
US-20070203207-A1 Heteroaromatic glucokinase activators BIZZARRO FRED T 2007-08-30 US disclosed
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
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 CN 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-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
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 (3 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 2/4885FFAR2 1513/4885KCNH2 1022/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK GCK 2/4885FFAR2 1419/4885KCNH2 1062/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK GCK 2/4885FFAR2 1513/4885KCNH2 1022/4885

“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.