SCHEMBL1963221

SCHEMBL1963221

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.39
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.35
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 0.32
CCNE1 P24864 2/20 0.32
CDK2 P24941 2/20 0.32
NOD2 Q9HC29 1/20 0.31
NOD1 Q9Y239 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TTK P33981 1/20 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
SCHEMBL1963553 0.91 GCK (0.38) GCKALDH1A1LMNAMAPTPTGDR2
SCHEMBL1963551 0.91 GCK (0.38) GCKALDH1A1LMNAMAPTPTGDR2
SCHEMBL1959233 0.87 ALDH1A1 (0.40) GCKALDH1A1LMNAMAPTPTGDR2
SCHEMBL1959234 0.87 ALDH1A1 (0.40) GCKALDH1A1LMNAMAPTPTGDR2
SCHEMBL1963220 0.86 GCK (0.38) GCKALDH1A1LMNAMAPTPTGDR2
SCHEMBL1963217 0.86 GCK (0.38) GCKALDH1A1LMNAMAPTPTGDR2
SCHEMBL1960649 0.86 GCK (0.39) GCKALDH1A1LMNAMAPTPTGDR2
SCHEMBL1960650 0.86 GCK (0.39) GCKALDH1A1LMNAMAPTPTGDR2
SCHEMBL1959600 0.86 GCK (0.39) GCKALDH1A1LMNAMAPTPTGDR2
SCHEMBL1959598 0.86 GCK (0.39) GCKALDH1A1LMNAMAPTPTGDR2

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 1/4885ALDH1A1 769/4885LMNA 4695/4885

“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.