SCHEMBL1961929

SCHEMBL1961929

CCOCCS(=O)(=O)c1ccc(C(=CC(C)C)c2cc3cc(F)cnc3[nH]2)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.32
GCK P35557 2/20 0.32
NTRK1 P04629 1/20 0.31
PTGES O14684 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL1961927 1.00 LOX (0.33) LOXPIK3C3GCKNTRK1PTGES
SCHEMBL1960330 0.85 GCK (0.46) LOXPIK3C3GCK
SCHEMBL1960332 0.85 GCK (0.46) LOXPIK3C3GCK
SCHEMBL1959111 0.83 GCK (0.40) LOXGCK
SCHEMBL1963925 0.83 PTGS2 (0.40) GCKNTRK1
SCHEMBL1963924 0.83 PTGS2 (0.40) GCKNTRK1
SCHEMBL2017896 0.77 PIK3C3 (0.34) LOXPIK3C3
SCHEMBL1963053 0.72 ABL1 (0.39) GCKNTRK1
SCHEMBL1963048 0.72 ABL1 (0.39) GCKNTRK1
SCHEMBL1961937 0.72 GCK (0.49) LOXPIK3C3GCK

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 4 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 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

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 LOX 1669/4885PIK3C3 1634/4885GCK 1/4885

“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.