SCHEMBL1961501

SCHEMBL1961501

CS(=O)(=O)c1ccc(C(O)(CC2CCCC2)c2cc3cccnc3n2S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.45
CHRM3 P20309 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.36
CYP19A1 P11511 1/20 0.36
NR1H2 P55055 2/20 0.36
CYP2C9 P11712 5/20 0.36
PDE4A P27815 5/20 0.36
PDE4B Q07343 5/20 0.36
PDE4C Q08493 5/20 0.36
PDE4D Q08499 5/20 0.36
CYP2C19 P33261 1/20 0.35
CCR2 P41597 1/20 0.35
PTGS2 P35354 3/20 0.34
PTGS1 P23219 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL1960524 0.90 GCK (0.41) GCKCHRM3PTGDR2CYP19A1CYP2C19
SCHEMBL1962937 0.90 GCK (0.40) GCKCHRM3PTGDR2CYP2C19ALDH1A1
SCHEMBL1960340 0.87 GCK (0.36) GCKCHRM3CYP19A1NR1H2CCR2
SCHEMBL1959597 0.85 CCR2 (0.36) GCKCHRM3CYP19A1NR1H2CCR2
SCHEMBL1959624 0.84 PTGDR2 (0.39) PTGDR2CYP2C9PDE4APDE4BPDE4C
SCHEMBL1959799 0.83 ALDH1A1 (0.37) GCKCHRM3PTGDR2CYP2C19ALDH1A1
SCHEMBL1960337 0.78 GCK (0.33) GCKCHRM3
SCHEMBL1959161 0.77 GCK (0.33) GCKCHRM3ALDH1A1LMNAPKM
SCHEMBL2054075 0.77 NR3C2 (0.32) GCKCHRM3CYP2C19ALDH1A1
SCHEMBL1962132 0.76 GCK (0.32) GCKCHRM3

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 1/4885CHRM3 3330/4885PTGDR2 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.