SCHEMBL1963271

SCHEMBL1963271

CS(=O)(=O)c1ccc(C(=CC2CCOCC2)c2cc3cccnc3n2S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.42
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.36
RECQL P46063 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
PDE4A P27815 5/20 0.33
PDE4B Q07343 5/20 0.33
PDE4C Q08493 5/20 0.33
PDE4D Q08499 5/20 0.33
PTGS2 P35354 1/20 0.32
CYP2C9 P11712 1/20 0.32
KCNH2 Q12809 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
SCHEMBL1961603 0.87 GCK (0.39) GCKPTGDR2GPR119PTGS2
SCHEMBL1962960 0.86 ALDH1A1 (0.35) GCKCYP2C19ALDH1A1LMNAMAPT
SCHEMBL1962958 0.86 ALDH1A1 (0.35) GCKCYP2C19ALDH1A1LMNAMAPT
SCHEMBL1962959 0.86 ALDH1A1 (0.35) GCKCYP2C19ALDH1A1LMNAMAPT
SCHEMBL1961733 0.86 GCK (0.34) GCKCYP2C19ALDH1A1LMNAMAPT
SCHEMBL1961735 0.86 GCK (0.34) GCKCYP2C19ALDH1A1LMNAMAPT
SCHEMBL1961732 0.86 GCK (0.34) GCKCYP2C19ALDH1A1LMNAMAPT
SCHEMBL1962010 0.86 GCK (0.38) GCKALDH1A1LMNAL3MBTL1PTGS2
SCHEMBL1958902 0.86 ALDH1A1 (0.35) GCKCYP2C19ALDH1A1LMNAMAPT
SCHEMBL1958901 0.86 ALDH1A1 (0.35) GCKCYP2C19ALDH1A1LMNAMAPT

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 1/4885CYP2C19 792/4885ALDH1A1 769/4885

“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.