SCHEMBL1961207

SCHEMBL1961207

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.34
MAPT P10636 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 2/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 2/20 0.33
TP53 P04637 1/20 0.33
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 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
SCHEMBL1961209 1.00 ALDH1A1 (0.36) ALDH1A1HTTTSHRMAPTKMT2A
SCHEMBL1962775 0.91 PTGS2 (0.37) ALDH1A1GCK
SCHEMBL1962772 0.91 PTGS2 (0.37) ALDH1A1GCK
SCHEMBL1962506 0.89 NR1H3 (0.33) ALDH1A1NR1I2GCK
SCHEMBL1962508 0.89 NR1H3 (0.33) ALDH1A1NR1I2GCK
SCHEMBL1958739 0.89 ALDH1A1 (0.35) ALDH1A1HTTMAPTKMT2AMEN1
SCHEMBL1958740 0.89 ALDH1A1 (0.35) ALDH1A1HTTMAPTKMT2AMEN1
SCHEMBL1962536 0.88 HDAC3 (0.39) ALDH1A1HTTTSHRMAPTKMT2A
SCHEMBL1962535 0.88 HDAC3 (0.39) ALDH1A1HTTTSHRMAPTKMT2A
SCHEMBL1959234 0.87 ALDH1A1 (0.40) ALDH1A1HTTMAPTKMT2AGAA

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 769/4885HTT 2485/4885TSHR 2850/4885

“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.