SCHEMBL1961603

SCHEMBL1961603

CS(=O)(=O)c1ccc(C(=CC2CCOCC2)c2cc3cc(F)cnc3n2S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.39
PTGS2 P35354 7/20 0.36
PTGS1 P23219 2/20 0.33
ALOX5 P09917 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
HTR6 P50406 1/20 0.32
PRKDC P78527 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.31
MAPK1 P28482 3/20 0.31

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
SCHEMBL1962775 0.93 PTGS2 (0.37) GCKPTGS2GPR119
SCHEMBL1962772 0.93 PTGS2 (0.37) GCKPTGS2GPR119
SCHEMBL1962010 0.89 GCK (0.38) GCKPTGS2HTR6
SCHEMBL1963003 0.88 SYK (0.31)
SCHEMBL1963271 0.87 GCK (0.42) GCKPTGS2GPR119PTGDR2
SCHEMBL1963725 0.85 MAPK1 (0.35) GCKMAPK1
SCHEMBL1961209 0.84 ALDH1A1 (0.36) GCK
SCHEMBL1961207 0.84 ALDH1A1 (0.36) GCK
SCHEMBL1960957 0.83 PTGS2 (0.36) GCKPTGS2ALOX5GPR119PTGDR2
SCHEMBL1960924 0.83 GCK (0.35) GCKPTGS2

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 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.