SCHEMBL2646486

SCHEMBL2646486

COc1ccc(C(CC2CCCC2)C(=O)O)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 1/20 0.43
CTSD P07339 3/20 0.42
REN P00797 1/20 0.42
KCNH2 Q12809 1/20 0.42
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 3/20 0.41
FFAR1 O14842 1/20 0.41
KMT2A Q03164 2/20 0.41
UGCG Q16739 1/20 0.41
BRD4 O60885 2/20 0.40
CREBBP Q92793 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
APP P05067 1/20 0.39
PSEN1 P49768 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
SCHEMBL2645477 0.89 CTSD (0.44) LMNAMAPK1HTTRAB9ACTSD
SCHEMBL2646112 0.88 ACHE (0.48) CTSDAKR1C3AKR1C2KMT2ANPSR1
SCHEMBL1863490 0.80 KCNH2 (0.46) LMNAKCNH2AKR1C3AKR1C2NPSR1
SCHEMBL1863493 0.80 KCNH2 (0.46) LMNAKCNH2AKR1C3AKR1C2NPSR1
SCHEMBL2647007 0.79 KCNH2 (0.63) KCNH2AKR1C3AKR1C2APPPSEN1
SCHEMBL2646192 0.79 EPHX2 (0.48) LMNAAKR1C3AKR1C2SMN1; SMN2LDHA
SCHEMBL2647603 0.79 APP (0.44) KCNH2AKR1C3AKR1C2FFAR1APP
SCHEMBL2646117 0.78 KCNH2 (0.73) LMNAMAPK1RAB9AKCNH2SMN1; SMN2
SCHEMBL2648102 0.77 KCNH2 (0.45) CTSDRENKCNH2BRD4CREBBP
SCHEMBL2647149 0.77 POLB (0.52) MAPK1AKR1C3AKR1C2FFAR1KMT2A

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 LMNA 4371/4885MAPK1 3681/4885HTT 1532/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK LMNA 4339/4885MAPK1 3703/4885HTT 1400/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK LMNA 4371/4885MAPK1 3681/4885HTT 1532/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK LMNA 4371/4885MAPK1 3681/4885HTT 1532/4885

“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.