SCHEMBL13746928

SCHEMBL13746928

CN[C@@H](C)C(=O)NC(C(=O)N1C[C@@H](OCc2ccc(CO[C@H]3C[C@@H](C(=O)NCCc4ccccc4)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C3)cc2)C[C@H]1C(=O)NCCc1ccccc1)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 16/20 0.55
▸ BIRC2 Q13490 11/20 0.55
▸ BIRC3 Q13489 10/20 0.55

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
SCHEMBL13164553 1.00 XIAP (0.55) XIAPBIRC2BIRC3
SCHEMBL13164551 0.87 ELANE (0.52) XIAPBIRC2BIRC3
SCHEMBL13184540 0.86 XIAP (0.53) XIAPBIRC2BIRC3
SCHEMBL13164683 0.85 XIAP (0.52) XIAPBIRC2BIRC3
SCHEMBL13164552 0.85 XIAP (0.43) XIAPBIRC2BIRC3
SCHEMBL13746451 0.84 XIAP (0.53) XIAPBIRC2BIRC3
SCHEMBL13164550 0.84 MC4R (0.46) XIAPBIRC2BIRC3
SCHEMBL13754047 0.83 XIAP (0.60) XIAPBIRC2BIRC3
SCHEMBL13164535 0.83 XIAP (0.60) XIAPBIRC2BIRC3
SCHEMBL13746641 0.81 XIAP (0.58) XIAPBIRC2BIRC3

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-7579320-B2 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. 2009-08-25 — — US disclosed
US-7579320-B2 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. 2009-08-25 — — US disclosed
US-20080069812-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents AEGERA THERAPEUTICS, INC. (CA) 2008-03-20 — — US disclosed
US-20080069812-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents AEGERA THERAPEUTICS, INC. (CA) 2008-03-20 — — 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-20080069812-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents BIRC5, XIAP, BIRC2 XIAP 2/4885BIRC2 3/4885BIRC3 7/4885

“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.

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