SCHEMBL1963050

SCHEMBL1963050

COCc1cnc2c(c1)cc(C(=CC1CCCC1)c1ccc(S(C)(=O)=O)cc1)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.34
FFAR2 O15552 1/20 0.32
PTGS2 P35354 4/20 0.32
AADAT Q8N5Z0 1/20 0.32
GPR119 Q8TDV5 2/20 0.31
CYP3A4 P08684 1/20 0.31
KCNH2 Q12809 1/20 0.31
CCR5 P51681 1/20 0.30
CPT2 P23786 1/20 0.30
CPT1A P50416 1/20 0.30
CPT1B Q92523 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL1963047 1.00 GCK (0.34) GCKFFAR2PTGS2AADATGPR119
SCHEMBL1960924 0.88 GCK (0.35) GCKPTGS2
SCHEMBL1960923 0.88 GCK (0.35) GCKPTGS2
SCHEMBL1960951 0.88 HDAC3 (0.37) GCKFFAR2PTGS2HDAC3HDAC4
SCHEMBL1960949 0.88 HDAC3 (0.37) GCKFFAR2PTGS2HDAC3HDAC4
SCHEMBL1962978 0.88 GCK (0.35) GCKCPT2CPT1ACPT1BHDAC3
SCHEMBL1962977 0.88 GCK (0.35) GCKCPT2CPT1ACPT1BHDAC3
SCHEMBL1961900 0.87 HDAC3 (0.37) GCKFFAR2PTGS2HDAC3HDAC4
SCHEMBL1961899 0.87 HDAC3 (0.37) GCKFFAR2PTGS2HDAC3HDAC4
SCHEMBL1960957 0.87 PTGS2 (0.36) GCKPTGS2GPR119

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 5 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
CN-102686587-A Azaindole glucokinase activators HOFFMANN LA ROCHE 2012-09-19 CN 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 1/4885FFAR2 1307/4885PTGS2 1580/4885

“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.