SCHEMBL1961745

SCHEMBL1961745

COC(=O)c1cnc2c(c1)cc(C(=O)CC(C)C)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.37
ALDH1A1 P00352 5/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
PSMD14 O00487 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
NOD2 Q9HC29 3/20 0.35
NOD1 Q9Y239 3/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
FBP1 P09467 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL1959066 0.84 ALDH1A1 (0.39) ALDH1A1GAAKMT2ALMNAMAPT
SCHEMBL1958747 0.83 ALDH1A1 (0.38) NAMPTALDH1A1KMT2APSMD14LMNA
SCHEMBL1962040 0.82 NAMPT (0.37) NAMPTALDH1A1GAAKMT2APSMD14
SCHEMBL1963733 0.80 ALDH1A1 (0.47) ALDH1A1GAAKMT2ALMNAMAPT
SCHEMBL1961492 0.79 PTGS2 (0.40) NAMPTALDH1A1GAAMAPTNOD2
SCHEMBL1961490 0.79 PTGS2 (0.40) NAMPTALDH1A1GAAMAPTNOD2
SCHEMBL1962633 0.77 NOD1 (0.38) NAMPTALDH1A1KMT2ALMNAMAPT
SCHEMBL1962631 0.77 NOD1 (0.38) NAMPTALDH1A1KMT2ALMNAMAPT
SCHEMBL2927020 0.76 PTGS2 (0.42) ALDH1A1GAAKMT2ALMNAMAPT
SCHEMBL2924501 0.75 MAPT (0.42) ALDH1A1KMT2ALMNAMAPTNOD2

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 NAMPT 447/4885ALDH1A1 769/4885GAA 55/4885

“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.