SCHEMBL1964344

SCHEMBL1964344

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.39
GCK P35557 3/20 0.39
SYK P43405 1/20 0.38
EPHX2 P34913 5/20 0.37
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
CTSK P43235 5/20 0.36
CTSS P25774 3/20 0.36
EGLN1 Q9GZT9 1/20 0.35
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
NAMPT P43490 1/20 0.35

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
SCHEMBL27873099 0.91 GCK (0.40) HDAC6GCKSYKEPHX2AKR1C3
SCHEMBL1961094 0.91 HDAC6 (0.41) HDAC6GCKSYKEPHX2AKR1C3
SCHEMBL1961533 0.90 HDAC6 (0.41) HDAC6GCKSYKEPHX2CTSK
SCHEMBL1961534 0.88 EPHX2 (0.43) HDAC6EPHX2NAMPT
SCHEMBL1959934 0.85 GCK (0.40) GCKSYKEPHX2CTSKCTSS
SCHEMBL1959970 0.85 GCK (0.40) GCKSYKEPHX2CTSKCTSS
SCHEMBL1959745 0.83 GCK (0.58) GCK
SCHEMBL1959747 0.83 GCK (0.58) GCK
SCHEMBL1961944 0.77 GCK (0.55) HDAC6GCK
SCHEMBL2195183 0.76 GCK (0.45) GCKEPHX2EGLN1

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 HDAC6 721/4885GCK 1/4885SYK 3130/4885

“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.