SCHEMBL2642842

SCHEMBL2642842

CSc1ccc(C(CC2CCC(O)C2)C(=O)O)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CHRM1 P11229 1/20 0.32
PTGS1 P23219 1/20 0.32
KCNH2 Q12809 2/20 0.32
CPB1 P15086 1/20 0.32
CPB2 Q96IY4 1/20 0.32
AKR1C3 P42330 4/20 0.31
AKR1C2 P52895 4/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
GCK P35557 1/20 0.30
GRN P28799 1/20 0.30
SORT1 Q99523 1/20 0.30

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
SCHEMBL2642845 1.00 APP (0.35) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL1866177 0.86 APP (0.45) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL2644883 0.86 APP (0.43) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL2644937 0.86 APP (0.43) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL1866180 0.86 APP (0.45) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL1861985 0.82 GCK (0.36) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL1861984 0.82 GCK (0.36) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL2649614 0.81 GCK (0.46) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL2649618 0.81 GCK (0.46) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL2662547 0.81 KCNH2 (0.49) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259166-B2 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
EP-1501815-B1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2006-11-22 EP disclosed
US-7105671-B2 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2006-09-12 US disclosed
US-20060178429-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators CORBETT WENDY L 2006-08-10 US disclosed
EP-1501815-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-02 EP disclosed
WO-2003095438-A9 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-12-23 WO disclosed
US-20030225283-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators CORBETT WENDY LEA (US) 2003-12-04 US disclosed
WO-2003095438-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-11-20 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 (2 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-20060178429-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators GCKR, GCK, PDXK APP 2466/4885PSEN1 3602/4885PSEN2 2631/4885
US-20030225283-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators GCKR, GCK, PDXK APP 2466/4885PSEN1 3602/4885PSEN2 2631/4885

“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.