SCHEMBL2439989

SCHEMBL2439989

CC(NCC(=O)OC(C)(C)C)C(=O)NC(C(=O)N1CCC2C1CCN2C(=O)OCc1ccccc1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.42
REN P00797 2/20 0.40
PREP P48147 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
XIAP P98170 1/20 0.38
BIRC3 Q13489 1/20 0.38
BIRC2 Q13490 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
SCHEMBL2113431 0.89 CTSL (0.40) CTSLRENXIAPBIRC3
SCHEMBL2117030 0.88 HSD17B10 (0.39) CTSLRENXIAPBIRC3BIRC2
SCHEMBL12299752 0.86 CTSL (0.57) CTSLPREP
SCHEMBL2441255 0.86 CTSL (0.57) CTSLPREP
SCHEMBL2440819 0.86 XIAP (0.49) XIAPBIRC3BIRC2
SCHEMBL12329404 0.86 XIAP (0.49) XIAPBIRC3BIRC2
SCHEMBL12299754 0.84 CTSL (0.42) CTSLPREPL3MBTL1
SCHEMBL2439991 0.84 CTSL (0.42) CTSLPREPL3MBTL1
SCHEMBL14780778 0.82 CTRB1 (0.47) PREP
SCHEMBL13049917 0.76 CTSL (0.51) CTSLPREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399683-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS (US) 2013-03-19 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 (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-20110237517-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 CTSL 134/4885REN 887/4885PREP 195/4885

“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.