SCHEMBL2646035

SCHEMBL2646035

COC(=O)C(CC1CCCC1)c1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.45
METAP2 P50579 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHX1 P07099 1/20 0.43
SLC6A3 Q01959 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
REN P00797 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNQ2 O43526 1/20 0.42

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
SCHEMBL2646806 0.89 MEN1 (0.43) EPHX2MEN1KMT2AEPHX1SLC6A3
SCHEMBL2646847 0.85 POLB (0.54) MEN1KMT2ASLC6A3SLC6A2SLC6A4
SCHEMBL2645055 0.84 MEN1 (0.58) EPHX2METAP2MEN1KMT2AEPHX1
SCHEMBL2645826 0.84 L3MBTL1 (0.56) SLC6A3SLC6A2SLC6A4GAAL3MBTL1
SCHEMBL1418963 0.84 SLC6A3 (0.50) METAP2MEN1KMT2ASLC6A3SLC6A2
SCHEMBL2648746 0.83 SLC6A3 (0.62) SLC6A3SLC6A2SLC6A4
SCHEMBL9108820 0.83 MEN1 (0.57) EPHX2METAP2MEN1KMT2AEPHX1
SCHEMBL27466233 0.83 MEN1 (0.47) EPHX2METAP2MEN1KMT2AEPHX1
SCHEMBL29274096 0.82 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4
SCHEMBL2648953 0.82 SLC6A3 (0.63) SLC6A3SLC6A2SLC6A4

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 EPHX2 4244/4885METAP2 213/4885MEN1 3699/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK EPHX2 4279/4885METAP2 381/4885MEN1 3987/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK EPHX2 4244/4885METAP2 213/4885MEN1 3699/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK EPHX2 4244/4885METAP2 213/4885MEN1 3699/4885

“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.