SCHEMBL9973499

SCHEMBL9973499

C[C@@H](C(=O)N[C@H]1CNCC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XIAP P98170 18/20 0.70
BIRC2 Q13490 7/20 0.70
BIRC8 Q96P09 4/20 0.70
BIRC3 Q13489 5/20 0.53

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
SCHEMBL12851912 1.00 XIAP (0.70) XIAPBIRC2BIRC8BIRC3
SCHEMBL9973514 0.86 XIAP (0.65) XIAPBIRC2BIRC8BIRC3
SCHEMBL12571284 0.86 XIAP (0.65) XIAPBIRC2BIRC8BIRC3
SCHEMBL27375004 0.85 XIAP (0.62) XIAPBIRC2BIRC8BIRC3
SCHEMBL12852008 0.84 XIAP (0.58) XIAPBIRC2BIRC8BIRC3
SCHEMBL9973494 0.84 BIRC2 (0.69) XIAPBIRC2BIRC8BIRC3
SCHEMBL12571266 0.84 BIRC2 (0.69) XIAPBIRC2BIRC8BIRC3
SCHEMBL27274363 0.84 XIAP (0.50) XIAPBIRC2BIRC8BIRC3
SCHEMBL15494083 0.84 XIAP (0.58) XIAPBIRC2BIRC8BIRC3
SCHEMBL12851841 0.83 BIRC2 (1.00) XIAPBIRC2BIRC8BIRC3

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-2019671-B1 INTERMEDIATES FOR THE PREPARATION OF BIVALENT SMAC MIMETICS UNIV MICHIGAN (US) 2014-09-24 EP disclosed
US-8202902-B2 Bivalent SMAC mimetics and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-06-19 US disclosed
US-7960372-B2 Inhibitors of apoptosis proteins; antiproliferative agents; kits THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-06-14 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
US-20080089896-A1 Bivalent SMAC mimetics and the uses thereof REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-04-17 US disclosed
WO-2007130626-A2 BIVALENT SMAC MIMETICS AND THE USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-11-15 WO 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-20080089896-A1 Bivalent SMAC mimetics and the uses thereof BID, BAD, BIRC2 XIAP 22/4885BIRC2 3/4885BIRC8 10/4885
US-20090123480-A1 BIVALENT SMAC MIMETICS AND THE USES THEREOF BID, BAD, BIRC2 XIAP 22/4885BIRC2 3/4885BIRC8 10/4885

“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.