SCHEMBL1960958

SCHEMBL1960958

Cc1cnc2c(c1)cc(C(=CC1CCCC1)c1ccc(S(C)(=O)=O)cc1)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.36
GCK P35557 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
ALOX5 P09917 1/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
PDE5A O76074 1/20 0.33
SLC40A1 Q9NP59 1/20 0.32
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL1960957 1.00 PTGS2 (0.36) PTGS2GCKPTGDR2ALOX5PDE4A
SCHEMBL1960923 0.91 GCK (0.35) PTGS2GCK
SCHEMBL1960924 0.91 GCK (0.35) PTGS2GCK
SCHEMBL1962772 0.90 PTGS2 (0.37) PTGS2GCKGPR119
SCHEMBL1962775 0.90 PTGS2 (0.37) PTGS2GCKGPR119
SCHEMBL1960949 0.89 HDAC3 (0.37) PTGS2GCK
SCHEMBL1960951 0.89 HDAC3 (0.37) PTGS2GCK
SCHEMBL1961900 0.88 HDAC3 (0.37) PTGS2GCK
SCHEMBL1961899 0.88 HDAC3 (0.37) PTGS2GCK
SCHEMBL1961058 0.88 PTGS2 (0.40) PTGS2GCKGPR119

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 PTGS2 1580/4885GCK 1/4885PTGDR2 1782/4885

“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.