SCHEMBL13419797

SCHEMBL13419797

CC[C@H](NC)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XIAP P98170 20/20 0.79
BIRC3 Q13489 8/20 0.79
BIRC2 Q13490 8/20 0.79
BIRC8 Q96P09 1/20 0.54

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
SCHEMBL1300937 0.89 XIAP (1.00) XIAPBIRC3BIRC2BIRC8
SCHEMBL1300934 0.89 XIAP (1.00) XIAPBIRC3BIRC2BIRC8
SCHEMBL13419800 0.89 XIAP (1.00) XIAPBIRC3BIRC2BIRC8
SCHEMBL12108524 0.89 XIAP (1.00) XIAPBIRC3BIRC2BIRC8
SCHEMBL31384882 0.89 XIAP (1.00) XIAPBIRC3BIRC2BIRC8
SCHEMBL12105339 0.89 XIAP (1.00) XIAPBIRC3BIRC2BIRC8
SCHEMBL12464524 0.89 XIAP (1.00) XIAPBIRC3BIRC2BIRC8
SCHEMBL19198442 0.89 XIAP (1.00) XIAPBIRC3BIRC2BIRC8
SCHEMBL13419801 0.88 XIAP (0.98) XIAPBIRC3BIRC2BIRC8
SCHEMBL9608943 0.87 XIAP (0.96) XIAPBIRC3BIRC2BIRC8

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
US-7674787-B2 Conformationally constrained Smac mimetics and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-03-09 US disclosed
US-7674787-B2 Conformationally constrained Smac mimetics and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-03-09 US disclosed
US-20080132485-A1 Conformationally Constrained Smac Mimetics And The Uses Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2008-06-05 US disclosed
US-20080132485-A1 Conformationally Constrained Smac Mimetics And The Uses Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2008-06-05 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-20080132485-A1 Conformationally Constrained Smac Mimetics And The Uses Thereof BID, API5, BIRC3 XIAP 23/4885BIRC3 3/4885BIRC2 8/4885

“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.