SCHEMBL16464009

SCHEMBL16464009

C[C@@H](C(=O)O)N(CCS(C)(=O)=O)C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CCR6 P51684 1/20 0.39
PAX8 Q06710 1/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
ABCB1 P08183 1/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC15A1 P46059 1/20 0.38
MEN1 O00255 1/20 0.38
ACHE P22303 1/20 0.37

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
SCHEMBL16464013 1.00 ALDH1A1 (0.42) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL25177942 0.84 ALDH1A1 (0.49) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL7438640 0.84 ALDH1A1 (0.49) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL16464072 0.82 ALDH1A1 (0.44) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL16464071 0.82 ALDH1A1 (0.44) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL7453248 0.81 ALDH1A1 (0.51) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL15564386 0.81 ALDH1A1 (0.51) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL18980750 0.81 ALDH1A1 (0.51) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL28110794 0.81 ALDH1A1 (0.46) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL30744367 0.80 CETP (0.46) ALDH1A1LMNAL3MBTL1POLBHSD17B10

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104540825-B Azaindole quinoline compound 霍夫曼-拉罗奇有限公司 2017-10-24 CN disclosed
EP-2906559-B1 AZAINDOLINES HOFFMANN LA ROCHE (CH) 2017-02-08 EP disclosed
EP-2906559-B1 AZAINDOLINES HOFFMANN LA ROCHE (CH) 2017-02-08 EP disclosed
US-9309248-B2 Azaindolines HOFFMANN-LA ROCHE INC. (US) 2016-04-12 US disclosed
US-9309248-B2 Azaindolines HOFFMANN-LA ROCHE INC. (US) 2016-04-12 US disclosed
US-9309248-B2 Azaindolines HOFFMANN-LA ROCHE INC. (US) 2016-04-12 US disclosed
US-20150266879-A1 AZAINDOLINES HOFFMANN-LA ROCHE INC. 2015-09-24 US disclosed
US-20150266879-A1 AZAINDOLINES HOFFMANN-LA ROCHE INC. 2015-09-24 US disclosed
US-20150266879-A1 AZAINDOLINES HOFFMANN-LA ROCHE INC. 2015-09-24 US disclosed
EP-2906559-A1 AZAINDOLINES F. Hoffmann-La Roche AG (CH) 2015-08-19 EP disclosed
CN-104540825-A Azaindolines HOFFMANN LA ROCHE 2015-04-22 CN disclosed
WO-2014056871-A1 AZAINDOLINES F. HOFFMANN-LA ROCHE AG (CH) 2014-04-17 WO disclosed
WO-2014056871-A1 AZAINDOLINES F. HOFFMANN-LA ROCHE AG (CH) 2014-04-17 WO 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-20150266879-A1 AZAINDOLINES AZI2, H1-5, CCNY ALDH1A1 682/4885LMNA 3580/4885L3MBTL1 1126/4885

“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.