SCHEMBL9973388

SCHEMBL9973388

CN[C@@H](C)C(=O)N[C@H]1CCN(CN2CC[C@H](NC(=O)[C@H](C)NC)C(=O)N3[C@H](CC[C@H]3C(=O)NC(c3ccccc3)c3ccccc3)C2)C[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 19/20 0.76
BIRC8 Q96P09 6/20 0.76
XIAP P98170 17/20 0.76
BIRC3 Q13489 16/20 0.76

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
SCHEMBL12571264 0.86 BIRC2 (0.97) BIRC2BIRC8XIAPBIRC3
SCHEMBL12851751 0.86 BIRC2 (1.00) BIRC2BIRC8XIAPBIRC3
SCHEMBL9973415 0.86 BIRC2 (0.97) BIRC2BIRC8XIAPBIRC3
SCHEMBL12855119 0.86 XIAP (0.96) BIRC2BIRC8XIAPBIRC3
SCHEMBL13419766 0.86 XIAP (0.96) BIRC2BIRC8XIAPBIRC3
SCHEMBL28920582 0.86 XIAP (1.00) BIRC2BIRC8XIAPBIRC3
SCHEMBL12105346 0.86 XIAP (1.00) BIRC2BIRC8XIAPBIRC3
SCHEMBL19194698 0.86 XIAP (1.00) BIRC2BIRC8XIAPBIRC3
SCHEMBL12108408 0.86 XIAP (1.00) BIRC2BIRC8XIAPBIRC3
SCHEMBL13419796 0.86 XIAP (0.98) BIRC2BIRC8XIAPBIRC3

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-8202902-B2 Bivalent SMAC mimetics and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-06-19 US disclosed
US-20090123480-A1 BIVALENT SMAC MIMETICS AND THE USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-14 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-20090123480-A1 BIVALENT SMAC MIMETICS AND THE USES THEREOF BID, BAD, BIRC2 BIRC2 3/4885BIRC8 10/4885XIAP 22/4885

“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.