SCHEMBL17062864

SCHEMBL17062864

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1c2ncccc2CC1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 4/20 0.41
TRPA1 O75762 1/20 0.41
HDAC8 Q9BY41 1/20 0.39
XIAP P98170 1/20 0.39
ELANE P08246 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
ACE P12821 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL17062865 1.00 CMA1 (0.41) CMA1TRPA1HDAC8XIAPELANE
SCHEMBL19181285 0.91 ACE (0.43) ACESCN9A
SCHEMBL19181283 0.91 ACE (0.43) ACESCN9A
SCHEMBL19181306 0.91 ACE (0.43) ACESCN9A
SCHEMBL16466125 0.85 XIAP (0.39) XIAPELANEACE
SCHEMBL17062296 0.85 XIAP (0.39) XIAPELANEACE
SCHEMBL16466124 0.85 XIAP (0.39) XIAPELANEACE
SCHEMBL17094803 0.85 XIAP (0.39) XIAPELANEACE
SCHEMBL16466122 0.85 XIAP (0.42) XIAPELANEACE
SCHEMBL17094824 0.85 XIAP (0.42) XIAPELANEACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906560-B1 AZAINDOLINES HAVING ACTIVITY AS INHIBITORS OF IAP HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
EP-2906559-B1 AZAINDOLINES HOFFMANN LA ROCHE (CH) 2017-02-08 EP disclosed
US-9340573-B2 Azaindolines HOFFMANN-LA ROCHE INC. (US) 2016-05-17 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-20150252072-A1 AZAINDOLINES HOFFMANN-LA ROCHE INC. 2015-09-10 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 (2 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 CMA1 2634/4885TRPA1 4507/4885HDAC8 146/4885
US-20150252072-A1 AZAINDOLINES AZI2, H1-5, H1-3 CMA1 2465/4885TRPA1 4555/4885HDAC8 141/4885

“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.