SCHEMBL9611293

SCHEMBL9611293

CC(NN(C)C(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
CTSL P07711 3/20 0.47
CTSB P07858 3/20 0.47
CTSS P25774 3/20 0.47
CTSK P43235 3/20 0.47
ABCB1 P08183 2/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CCR6 P51684 1/20 0.43
PAX8 Q06710 1/20 0.43
ATM Q13315 1/20 0.43
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL23836500 0.83 ABCB1 (0.45) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL9354751 0.80 ALDH1A1 (0.55) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL21831874 0.78 CTSK (0.47) CTSLCTSBCTSSCTSKABCB1
SCHEMBL21831871 0.78 CTSK (0.47) CTSLCTSBCTSSCTSKABCB1
SCHEMBL29401370 0.78 ABCB1 (0.51) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL1085849 0.78 ABCB1 (0.51) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL1928167 0.78 ABCB1 (0.51) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL381080 0.77 ABCB1 (0.53) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL7404261 0.77 ABCB1 (0.53) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL381082 0.77 ABCB1 (0.53) ALDH1A1CTSLCTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415486-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORP. (US) 2013-04-09 US disclosed
US-20120135990-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2012-05-31 US disclosed
US-20110237517-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. 2011-09-29 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-20110237517-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 ALDH1A1 4750/4885CTSL 134/4885CTSB 72/4885
US-20120135990-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 ALDH1A1 4750/4885CTSL 134/4885CTSB 72/4885

“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.