SCHEMBL1962397

SCHEMBL1962397

COC(=O)c1ccc(C(=CC2CCCC2)c2cc3cc(C)cnc3n2S(=O)(=O)c2ccccc2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 3/20 0.34
GCK P35557 3/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 2/20 0.33
OPRK1 P41145 3/20 0.33
HPGD P15428 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32

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
SCHEMBL1962395 1.00 ALDH1A1 (0.34) ALDH1A1KDM4EHSD17B10GCKTSHR
SCHEMBL1963061 0.93 ALDH1A1 (0.35) ALDH1A1KDM4EHSD17B10GCKTSHR
SCHEMBL1963059 0.93 ALDH1A1 (0.35) ALDH1A1KDM4EHSD17B10GCKTSHR
SCHEMBL1960944 0.89 GCK (0.38) ALDH1A1KDM4EHSD17B10GCKTSHR
SCHEMBL1960945 0.89 GCK (0.38) ALDH1A1KDM4EHSD17B10GCKTSHR
SCHEMBL1963725 0.87 MAPK1 (0.35) ALDH1A1KDM4EHSD17B10GCKTSHR
SCHEMBL1962294 0.83 GCK (0.37) ALDH1A1KDM4EHSD17B10GCKLMNA
SCHEMBL1962291 0.83 GCK (0.37) ALDH1A1KDM4EHSD17B10GCKLMNA
SCHEMBL1960957 0.82 PTGS2 (0.36) GCK
SCHEMBL1960958 0.82 PTGS2 (0.36) 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 ALDH1A1 769/4885KDM4E 1557/4885HSD17B10 978/4885

“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.