SCHEMBL2646820

SCHEMBL2646820

CSc1ccc([C@@H](CC2CCCC2)C(=O)O)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 15/20 0.41
AKR1C2 P52895 15/20 0.41
APP P05067 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
AKR1B10 O60218 2/20 0.39
AKR1C4 P17516 2/20 0.39
AKR1C1 Q04828 2/20 0.39
EPHX1 P07099 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL2646295 1.00 AKR1C3 (0.41) AKR1C3AKR1C2APPPSEN1PSEN2
SCHEMBL2649238 0.88 AKR1C3 (0.35) AKR1C3AKR1C2APPPSEN1PSEN2
SCHEMBL2646003 0.87 AKR1C3 (0.36) AKR1C3AKR1C2APPPSEN1PSEN2
SCHEMBL2646133 0.85 AKR1C3 (0.44) AKR1C3AKR1C2APPPSEN1PSEN2
SCHEMBL2642039 0.85 AKR1C3 (0.38) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL2645517 0.84 APP (0.37) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL2642051 0.84 HPGD (0.40) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL2645971 0.83 TAS1R3 (0.36) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL2645969 0.83 TAS1R3 (0.36) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL2644937 0.82 APP (0.43) APPPSEN1PSEN2APH1BNCSTN

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 6 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 AKR1C3 1529/4885AKR1C2 992/4885APP 2579/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK AKR1C3 1529/4885AKR1C2 992/4885APP 2579/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK AKR1C3 1529/4885AKR1C2 992/4885APP 2579/4885

“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.