SCHEMBL1963210

SCHEMBL1963210

CC(C)/C=C(\c1ccc(S(C)(=O)=O)cc1)c1cc2cc(C(=O)O)cnc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.37
EGLN1 Q9GZT9 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35
NAMPT P43490 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CYP2C9 P11712 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSP90AA1 P07900 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PTGS2 P35354 4/20 0.33
ABL1 P00519 1/20 0.33
HCAR3 P49019 1/20 0.33

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
SCHEMBL1963213 1.00 GCK (0.37) GCKEGLN1CAMKK2NAMPTHDAC6
SCHEMBL1963925 0.86 PTGS2 (0.40) GCKNAMPTCYP2C9PTGS2
SCHEMBL1963924 0.86 PTGS2 (0.40) GCKNAMPTCYP2C9PTGS2
SCHEMBL1960983 0.82 GCK (0.55) GCKEGLN1CAMKK2NAMPTCYP2C9
SCHEMBL1960981 0.82 GCK (0.55) GCKEGLN1CAMKK2NAMPTCYP2C9
SCHEMBL1964344 0.73 HDAC6 (0.39) GCKEGLN1NAMPTHDAC6
SCHEMBL1962269 0.73 GCK (0.58) GCKKDM4EALDH1A1KMT2APTGS2
SCHEMBL1962265 0.73 GCK (0.58) GCKKDM4EALDH1A1KMT2APTGS2
Hydrochloric Acid SCHEMBL30008041 0.71 CDK5 (0.44) CAMKK2NAMPTCYP2C9PTGS2
SCHEMBL1961929 0.71 LOX (0.33) GCK

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 1/4885EGLN1 3109/4885CAMKK2 305/4885

“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.