SCHEMBL1958735

SCHEMBL1958735

CS(=O)(=O)c1ccc(/C(=C/C2CCCC2)c2cc3cc(F)cnc3[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 6/20 0.54
PTGS2 P35354 6/20 0.37
PTGS1 P23219 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 2/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
EPHX2 P34913 1/20 0.34
NAMPT P43490 1/20 0.33
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL1958734 1.00 GCK (0.54) GCKPTGS2PTGS1KMT2ACYP2C9
SCHEMBL1958737 1.00 GCK (0.54) GCKPTGS2PTGS1KMT2ACYP2C9
SCHEMBL1960533 0.98 GCK (0.52) GCKPTGS2PTGS1KMT2ACYP2C9
SCHEMBL1960532 0.98 GCK (0.52) GCKPTGS2PTGS1KMT2ACYP2C9
SCHEMBL1960534 0.98 GCK (0.52) GCKPTGS2PTGS1KMT2ACYP2C9
SCHEMBL1960841 0.92 GCK (0.46) GCKPTGS2PTGS1PTGDR2NAMPT
SCHEMBL1960843 0.92 GCK (0.46) GCKPTGS2PTGS1PTGDR2NAMPT
SCHEMBL1960844 0.92 GCK (0.46) GCKPTGS2PTGS1PTGDR2NAMPT
SCHEMBL1962674 0.89 GCK (0.55) GCKPTGS2KMT2ACYP2C9EPHX2
SCHEMBL1962672 0.89 GCK (0.55) GCKPTGS2KMT2ACYP2C9EPHX2

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
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
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 GCK 1/4885PTGS2 1580/4885PTGS1 2389/4885

“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.