SCHEMBL1962997

SCHEMBL1962997

CC[S+]([O-])c1cnc2c(c1)cc(C(=CC1CCCC1)c1ccc(S(C)(=O)=O)cc1)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.34
CKS1B P61024 1/20 0.31
SKP1 P63208 1/20 0.31
SKP2 Q13309 1/20 0.31
PDE5A O76074 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL1962995 1.00 GCK (0.34) GCKCKS1BSKP1SKP2PDE5A
SCHEMBL1960958 0.87 PTGS2 (0.36) GCKPDE5APDE4APDE4BPDE4C
SCHEMBL1960923 0.87 GCK (0.35) GCKPTGS2
SCHEMBL1960957 0.87 PTGS2 (0.36) GCKPDE5APDE4APDE4BPDE4C
SCHEMBL1960924 0.87 GCK (0.35) GCKPTGS2
SCHEMBL1962775 0.86 PTGS2 (0.37) GCKPTGS2
SCHEMBL1962772 0.86 PTGS2 (0.37) GCKPTGS2
SCHEMBL1960949 0.85 HDAC3 (0.37) GCKPTGS2
SCHEMBL1960951 0.85 HDAC3 (0.37) GCKPTGS2
SCHEMBL1963047 0.84 GCK (0.34) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222416-B2 Azaindole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US 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 1/4885CKS1B 1159/4885SKP1 1547/4885

“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.