SCHEMBL1960462

SCHEMBL1960462

CC(C)(O)c1ccc([C@@H](CC2CCCC2)c2cc3cc(C(=O)O)cnc3[nH]2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCK P35557 15/20 0.50
PDE2A O00408 3/20 0.34
KCNH2 Q12809 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 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
SCHEMBL1960461 1.00 GCK (0.50) GCKPDE2AKCNH2PIK3CAMTOR
SCHEMBL1959395 0.89 GCK (0.51) GCKPDE2AKCNH2PIK3CAMTOR
SCHEMBL1960851 0.89 GCK (0.51) GCKPDE2AKCNH2PIK3CAMTOR
SCHEMBL1959164 0.89 GCK (0.50) GCKPDE2AKCNH2PIK3CAMTOR
SCHEMBL1959165 0.89 GCK (0.50) GCKPDE2AKCNH2PIK3CAMTOR
SCHEMBL1961395 0.86 GCK (0.46) GCKPDE2AKCNH2PIK3CAMTOR
SCHEMBL1960810 0.84 GCK (0.63) GCK
SCHEMBL1960811 0.84 GCK (0.63) GCK
SCHEMBL1961101 0.82 GCK (0.43) GCKMTOR
SCHEMBL1959951 0.82 GCK (0.43) GCKMTOR

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513103-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-10-24 EP claimed
US-8222416-B2 Azaindole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US claimed
WO-2011073117-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO claimed
US-20110144105-A1 AZAINDOLE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2011-06-16 US claimed
EP-2513103-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
US-8222416-B2 Azaindole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US disclosed
US-8222416-B2 Azaindole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US disclosed
US-8222416-B2 Azaindole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US disclosed
WO-2011073117-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed
US-20110144105-A1 AZAINDOLE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2011-06-16 US disclosed
US-20110144105-A1 AZAINDOLE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2011-06-16 US disclosed
US-20110144105-A1 AZAINDOLE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2011-06-16 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 (1 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-20110144105-A1 AZAINDOLE GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 GCK 1/4885PDE2A 404/4885KCNH2 1491/4885

“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.