SCHEMBL1962129

SCHEMBL1962129

CS(=O)(=O)c1ccc(/C(=C\C2CCC3(C2)OCCO3)c2cc3cccnc3[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 7/20 0.57
CNR2 P34972 1/20 0.38
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
RIPK1 Q13546 4/20 0.33
NAMPT P43490 2/20 0.33
PDE4A P27815 4/20 0.33
PDE4B Q07343 4/20 0.33
PDE4C Q08493 4/20 0.33
PDE4D Q08499 4/20 0.33
CYP2C9 P11712 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
SCHEMBL1962131 1.00 GCK (0.57) GCKCNR2HRH4HRH3RIPK1
SCHEMBL1962128 1.00 GCK (0.57) GCKCNR2HRH4HRH3RIPK1
SCHEMBL1961082 0.85 GCK (0.63) GCKCNR2HRH4HRH3RIPK1
SCHEMBL2040287 0.83 GCK (0.41) GCK
SCHEMBL1959971 0.80 GCK (0.56) GCKCNR2HRH4HRH3RIPK1
SCHEMBL1959972 0.80 GCK (0.56) GCKCNR2HRH4HRH3RIPK1
SCHEMBL1959974 0.80 GCK (0.56) GCKCNR2HRH4HRH3RIPK1
SCHEMBL1961034 0.79 GCK (0.58) GCKCNR2HRH4HRH3RIPK1
SCHEMBL1959110 0.79 GCK (0.58) GCKCNR2HRH4HRH3RIPK1
SCHEMBL1961037 0.79 GCK (0.58) GCKCNR2HRH4HRH3RIPK1

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 1/4885CNR2 3858/4885HRH4 4609/4885

“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.