SCHEMBL2646112

SCHEMBL2646112

COc1ccc(C(CC2CCCC2)C(=O)O)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
LDHA P00338 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PDE4A P27815 3/20 0.44
HIF1A Q16665 1/20 0.44
AKR1C3 P42330 3/20 0.44
AKR1C2 P52895 3/20 0.44
AKR1C1 Q04828 1/20 0.44
PTGS1 P23219 1/20 0.44
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
CTSD P07339 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
SCHEMBL2646486 0.88 LMNA (0.43) NPSR1LDHAKMT2AAKR1C3AKR1C2
SCHEMBL1863493 0.85 KCNH2 (0.46) NPSR1PDE4AAKR1C3AKR1C2AKR1C1
SCHEMBL1863490 0.85 KCNH2 (0.46) NPSR1PDE4AAKR1C3AKR1C2AKR1C1
SCHEMBL2403528 0.83 ACHE (0.47) ACHENPSR1LDHAPDE4AHIF1A
SCHEMBL2646192 0.82 EPHX2 (0.48) LDHAHIF1AAKR1C3AKR1C2AKR1C1
Cyclohexylamine SCHEMBL11706841 0.81 AKR1C3 (0.50) ACHELDHAMEN1KMT2APDE4A
SCHEMBL2647149 0.80 POLB (0.52) MEN1KMT2AAKR1C3AKR1C2AKR1C1
SCHEMBL3828059 0.79 AKR1C3 (0.65) ACHENPSR1LDHAHIF1AAKR1C3
SCHEMBL16586032 0.79 TDP1 (0.43) MEN1KMT2A
SCHEMBL16586030 0.79 TDP1 (0.43) MEN1KMT2A

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 13 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
CN-1151140-C Glucokinase activators - 2004-05-26 CN 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
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-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 ACHE 2241/4885NPSR1 3338/4885LDHA 2346/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK ACHE 2303/4885NPSR1 2939/4885LDHA 1807/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK ACHE 2241/4885NPSR1 3338/4885LDHA 2346/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK ACHE 2241/4885NPSR1 3338/4885LDHA 2346/4885

“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.