SCHEMBL2646097

SCHEMBL2646097

CCOC(=O)/C(=C/C1CCCC1)c1ccc(S(=O)(=O)CC)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 1/20 0.38
RORC P51449 1/20 0.37
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
GAA P10253 1/20 0.36
NR3C1 P04150 1/20 0.36
AR P10275 1/20 0.36
CYP2C9 P11712 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP14 P50281 1/20 0.36

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
SCHEMBL2646100 1.00 ALDH1A1 (0.41) ALDH1A1POLBKMT2ALMNAHTT
SCHEMBL13609523 0.92 ALDH1A1 (0.39) ALDH1A1POLBKMT2ALMNAHTT
SCHEMBL1581575 0.91 ALDH1A1 (0.39) ALDH1A1POLBKMT2ALMNAHTT
SCHEMBL1581584 0.90 KMT2A (0.44) ALDH1A1POLBKMT2ALMNAHTT
SCHEMBL1581586 0.90 KMT2A (0.44) ALDH1A1POLBKMT2ALMNAHTT
SCHEMBL1582018 0.89 KMT2A (0.46) ALDH1A1POLBKMT2ALMNANR3C1
SCHEMBL1582021 0.89 KMT2A (0.46) ALDH1A1POLBKMT2ALMNANR3C1
SCHEMBL4258524 0.88 ALDH1A1 (0.40) ALDH1A1POLBKMT2ALMNAHTT
SCHEMBL4258522 0.88 ALDH1A1 (0.40) ALDH1A1POLBKMT2ALMNAHTT
SCHEMBL13609524 0.87 ALDH1A1 (0.39) ALDH1A1POLBKMT2ALMNAHTT

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 12 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
US-6528543-B1 Glucokinase activating for treating type II diabetes; acylurea compound, phenylacetyl-substituted; 1-(2-(3-chloro-phenyl)-3cyclopentyl-propionyl)-3-methyl-urea HOFFMAN-LA ROCHE INC. 2003-03-04 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 ALDH1A1 3347/4885POLB 1856/4885KMT2A 1970/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK ALDH1A1 3111/4885POLB 1803/4885KMT2A 2763/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK ALDH1A1 3347/4885POLB 1856/4885KMT2A 1970/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK ALDH1A1 3347/4885POLB 1856/4885KMT2A 1970/4885

“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.