SCHEMBL2646562

SCHEMBL2646562

COC(=O)c1ccc(C(CC2CCCC2)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.45
EPHX1 P07099 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
EPHX2 P34913 1/20 0.43
CYP3A4 P08684 2/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 2/20 0.41
OPRD1 P41143 1/20 0.40
METAP2 P50579 1/20 0.40

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
SCHEMBL2646358 0.89 MEN1 (0.45) CYP2C19EPHX1ALDH1A1MAPTNPC1
SCHEMBL3392044 0.88 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2646192 0.83 EPHX2 (0.48) ALDH1A1SMN1; SMN2EPHX2
SCHEMBL21226995 0.82 ALDH1A1 (0.47) CYP2C19EPHX1ALDH1A1MAPTNPC1
SCHEMBL19922131 0.81 ALDH1A1 (0.46) CYP2C19EPHX1ALDH1A1MAPTNPC1
SCHEMBL25213265 0.80 MAPT (0.45) CYP2C19EPHX1ALDH1A1MAPTNPC1
SCHEMBL1418773 0.79 CYP2C19 (0.47) CYP2C19KDM4EEPHX2CYP3A4METAP2
SCHEMBL1418768 0.79 CYP2C19 (0.47) CYP2C19KDM4EEPHX2CYP3A4METAP2
SCHEMBL2646620 0.78 KMT2A (0.49) NPC1KMT2A
SCHEMBL2649555 0.78 DPEP1 (0.43) EPHX1EPHX2METAP2

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 CYP2C19 1598/4885EPHX1 4698/4885ALDH1A1 3347/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK CYP2C19 1653/4885EPHX1 4716/4885ALDH1A1 3111/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK CYP2C19 1598/4885EPHX1 4698/4885ALDH1A1 3347/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK CYP2C19 1598/4885EPHX1 4698/4885ALDH1A1 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.