SCHEMBL1960841

SCHEMBL1960841

CS(=O)(=O)c1ccc(/C(=C\C2CCOCC2)c2cc3cc(F)cnc3[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCK P35557 7/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.37
PTGS2 P35354 4/20 0.35
PTGS1 P23219 1/20 0.35
MAPK1 P28482 3/20 0.35
NAMPT P43490 2/20 0.34
GPR119 Q8TDV5 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
SCHEMBL1960844 1.00 GCK (0.46) GCKPTGDR2PTGS2PTGS1MAPK1
SCHEMBL1960843 1.00 GCK (0.46) GCKPTGDR2PTGS2PTGS1MAPK1
SCHEMBL1960532 0.92 GCK (0.52) GCKPTGDR2PTGS2PTGS1NAMPT
SCHEMBL1958737 0.92 GCK (0.54) GCKPTGDR2PTGS2PTGS1NAMPT
SCHEMBL1960533 0.92 GCK (0.52) GCKPTGDR2PTGS2PTGS1NAMPT
SCHEMBL1958734 0.92 GCK (0.54) GCKPTGDR2PTGS2PTGS1NAMPT
SCHEMBL1958735 0.92 GCK (0.54) GCKPTGDR2PTGS2PTGS1NAMPT
SCHEMBL1960534 0.92 GCK (0.52) GCKPTGDR2PTGS2PTGS1NAMPT
SCHEMBL1959902 0.87 GCK (0.51) GCKPTGS2PTGS1MAPK1NAMPT
SCHEMBL1959111 0.86 GCK (0.40) GCKNAMPT

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-8222416-B2 Azaindole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US 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
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 1/4885PTGDR2 1782/4885PTGS2 1580/4885

“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.