SCHEMBL2646192

SCHEMBL2646192

COc1ccc(C(CC2CCCC2)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.48
AKR1C3 P42330 3/20 0.47
AKR1C2 P52895 3/20 0.47
AKR1C1 Q04828 1/20 0.47
PTGS1 P23219 1/20 0.47
KLK7 P49862 1/20 0.45
LDHA P00338 1/20 0.44
MITF O75030 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
POLB P06746 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
CPB2 Q96IY4 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL2647518 0.84 NPY5R (0.53) PTGS1ALDH1A1SMN1; SMN2
SCHEMBL2647149 0.83 POLB (0.52) AKR1C3AKR1C2AKR1C1PTGS1ALDH1A1
SCHEMBL2646562 0.83 CYP2C19 (0.45) EPHX2ALDH1A1SMN1; SMN2
SCHEMBL2646825 0.82 KDM4E (0.47) EPHX2ALDH1A1POLB
SCHEMBL2646112 0.82 ACHE (0.48) AKR1C3AKR1C2AKR1C1PTGS1LDHA
SCHEMBL1418773 0.81 CYP2C19 (0.47) EPHX2LMNAPOLB
SCHEMBL1418768 0.81 CYP2C19 (0.47) EPHX2LMNAPOLB
SCHEMBL2405258 0.81 CA1 (0.42) EPHX2POLBSLC6A2SLC6A4SLC6A3
SCHEMBL2646620 0.80 KMT2A (0.49) POLBCNR1
SCHEMBL2649555 0.80 DPEP1 (0.43) EPHX2CPB2SLC6A3

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 4244/4885AKR1C3 1529/4885AKR1C2 992/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK EPHX2 4279/4885AKR1C3 1475/4885AKR1C2 940/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK EPHX2 4244/4885AKR1C3 1529/4885AKR1C2 992/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK EPHX2 4244/4885AKR1C3 1529/4885AKR1C2 992/4885

“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.