SCHEMBL2645477

SCHEMBL2645477

COC(=O)C(CC1CCCC1)c1ccc(OC)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSD P07339 6/20 0.44
REN P00797 2/20 0.44
KCNH2 Q12809 1/20 0.43
KMT2A Q03164 3/20 0.43
UGCG Q16739 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
MEN1 O00255 1/20 0.39

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 0.89 LMNA (0.43) CTSDRENKCNH2KMT2AUGCG
SCHEMBL2648102 0.89 KCNH2 (0.45) CTSDRENKCNH2TAS1R3TAS1R1
SCHEMBL2646834 0.83 PDE2A (0.42) CTSDKCNH2
SCHEMBL29274096 0.83 SLC6A3 (0.49) KCNH2TAS1R3TAS1R1
SCHEMBL2646723 0.82 KCNH2 (0.62) KCNH2
SCHEMBL2646483 0.81 TAS1R3 (0.43) CTSDKCNH2TAS1R3TAS1R1
SCHEMBL2651427 0.79 KCNH2 (0.41) RENKCNH2
SCHEMBL2646117 0.79 KCNH2 (0.73) KCNH2LMNAMAPK1RAB9A
SCHEMBL2648746 0.79 SLC6A3 (0.62) KCNH2LMNA
SCHEMBL21820769 0.78 SLC6A3 (0.46) KCNH2TAS1R3TAS1R1

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 CTSD 1599/4885REN 898/4885KCNH2 1022/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK CTSD 1280/4885REN 798/4885KCNH2 1062/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK CTSD 1599/4885REN 898/4885KCNH2 1022/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK CTSD 1599/4885REN 898/4885KCNH2 1022/4885

“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.