SCHEMBL1958739

SCHEMBL1958739

CC(C)(C)NC(=O)c1ccc(/C(=C\C2CCCC2)c2cc3cc(F)cnc3n2S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
JAK2 O60674 6/20 0.35
NTRK1 P04629 6/20 0.35
GCK P35557 1/20 0.33
LMNA P02545 4/20 0.33
HTT P42858 2/20 0.33
HPGD P15428 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
PDE7A Q13946 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
SCHEMBL1958740 1.00 ALDH1A1 (0.35) ALDH1A1JAK2NTRK1GCKLMNA
SCHEMBL1962506 0.90 NR1H3 (0.33) ALDH1A1GCK
SCHEMBL1962508 0.90 NR1H3 (0.33) ALDH1A1GCK
SCHEMBL1961207 0.89 ALDH1A1 (0.36) ALDH1A1GCKLMNAHTTTP53
SCHEMBL1961209 0.89 ALDH1A1 (0.36) ALDH1A1GCKLMNAHTTTP53
SCHEMBL1960904 0.88 GCK (0.40) ALDH1A1GCKLMNAHTTHPGD
SCHEMBL1960900 0.88 GCK (0.40) ALDH1A1GCKLMNAHTTHPGD
SCHEMBL1962772 0.87 PTGS2 (0.37) ALDH1A1GCK
SCHEMBL1962775 0.87 PTGS2 (0.37) ALDH1A1GCK
SCHEMBL1962026 0.83 FKBP1A (0.32) ALDH1A1GCKLMNAHPGD

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 ALDH1A1 769/4885JAK2 1756/4885NTRK1 3641/4885

“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.