SCHEMBL1959233

SCHEMBL1959233

CC(=O)c1ccc(/C(=C\C2CCCC2)c2cc3cccnc3n2S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPT P10636 3/20 0.40
GCK P35557 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
GAA P10253 3/20 0.37
POLB P06746 3/20 0.37
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDE4B Q07343 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL1959234 1.00 ALDH1A1 (0.40) ALDH1A1MAPTGCKLMNAHTT
SCHEMBL1959819 0.90 GCK (0.40) ALDH1A1MAPTGCKLMNAHTT
SCHEMBL1959817 0.90 GCK (0.40) ALDH1A1MAPTGCKLMNAHTT
SCHEMBL1960649 0.90 GCK (0.39) ALDH1A1MAPTGCKLMNAPTGDR2
SCHEMBL1960650 0.90 GCK (0.39) ALDH1A1MAPTGCKLMNAPTGDR2
SCHEMBL1963220 0.89 GCK (0.38) ALDH1A1MAPTGCKLMNAHTT
SCHEMBL1962666 0.89 GCK (0.40) ALDH1A1MAPTGCKLMNAHTT
SCHEMBL1962668 0.89 GCK (0.40) ALDH1A1MAPTGCKLMNAHTT
SCHEMBL1963217 0.89 GCK (0.38) ALDH1A1MAPTGCKLMNAHTT
SCHEMBL1963954 0.88 GCK (0.39) ALDH1A1MAPTGCKLMNAPTGDR2

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 769/4885MAPT 4347/4885GCK 1/4885

“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.