SCHEMBL13690351

SCHEMBL13690351

CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCCC1C(=O)N[C@@H]1CCCc2ccccc21)C(C)OCCCCCCOC(C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCCC1C(=O)N[C@@H]1CCCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 15/20 0.56
XIAP P98170 12/20 0.54
BIRC3 Q13489 9/20 0.54
BIRC7 Q96CA5 2/20 0.52
CASP9 P55211 1/20 0.51

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
SCHEMBL10081350 1.00 BIRC2 (0.56) BIRC2XIAPBIRC3BIRC7CASP9
SCHEMBL12130787 1.00 BIRC2 (0.56) BIRC2XIAPBIRC3BIRC7CASP9
SCHEMBL13181397 0.96 BIRC2 (0.58) BIRC2XIAPBIRC3BIRC7CASP9
SCHEMBL12133502 0.96 BIRC2 (0.58) BIRC2XIAPBIRC3BIRC7CASP9
SCHEMBL14267176 0.96 BIRC2 (0.52) BIRC2XIAPBIRC3BIRC7
SCHEMBL13790746 0.94 BIRC2 (0.51) BIRC2XIAPBIRC3BIRC7CASP9
SCHEMBL13693944 0.92 BIRC2 (0.61) BIRC2XIAPBIRC3BIRC7CASP9
SCHEMBL13119699 0.92 BIRC2 (0.57) BIRC2XIAPBIRC3BIRC7CASP9
SCHEMBL13154301 0.92 BIRC2 (0.65) BIRC2XIAPBIRC3BIRC7CASP9
SCHEMBL12130789 0.92 BIRC2 (0.65) BIRC2XIAPBIRC3BIRC7CASP9

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-7589118-B2 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. 2009-09-15 US disclosed
US-7589118-B2 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. 2009-09-15 US disclosed
US-20070093428-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; death receptor agonist; AEGERA THERAPEUTICS, INC. (CA) 2007-04-26 US disclosed
US-20070093428-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; death receptor agonist; AEGERA THERAPEUTICS, INC. (CA) 2007-04-26 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-20070093428-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; death receptor agonist; BAD, BIRC5, BAX BIRC2 7/4885XIAP 6/4885BIRC3 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.