SCHEMBL2647149

SCHEMBL2647149

COc1cccc(C(CC2CCCC2)C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
MTNR1A P48039 3/20 0.47
MTNR1B P49286 3/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
AKR1C3 P42330 4/20 0.46
AKR1C2 P52895 4/20 0.46
AKR1C1 Q04828 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTGS1 P23219 1/20 0.46
FFAR1 O14842 4/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL2646847 0.88 POLB (0.54) POLBMEN1ALDH1A1MAPK1KMT2A
SCHEMBL2646192 0.83 EPHX2 (0.48) POLBALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL2404817 0.83 L3MBTL1 (0.53) POLBMEN1KMT2AMTNR1AMTNR1B
SCHEMBL2646112 0.80 ACHE (0.48) MEN1KMT2AAKR1C3AKR1C2AKR1C1
SCHEMBL1418768 0.80 CYP2C19 (0.47) POLB
SCHEMBL1418773 0.80 CYP2C19 (0.47) POLB
SCHEMBL4247911 0.80 OPRL1 (0.44) MEN1KMT2A
SCHEMBL2645055 0.80 MEN1 (0.58) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL1858400 0.79 SLC6A9 (0.42) POLBMEN1MAPK1KMT2AAKR1C3
SCHEMBL1858397 0.79 SLC6A9 (0.42) POLBMEN1MAPK1KMT2AAKR1C3

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 POLB 1856/4885MEN1 3699/4885ALDH1A1 3347/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK POLB 1803/4885MEN1 3987/4885ALDH1A1 3111/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK POLB 1856/4885MEN1 3699/4885ALDH1A1 3347/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK POLB 1856/4885MEN1 3699/4885ALDH1A1 3347/4885

“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.