SCHEMBL10076587

SCHEMBL10076587

CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(-c3ccc(C(=O)N[C@H]4C[C@@H](c5nc(-c6cccc(-c7ccccc7)c6)cs5)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C4)cc3)cc2)C[C@H]1c1nc(-c2cccc(-c3ccccc3)c2)cs1)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
XIAP P98170 19/20 0.45
BIRC2 Q13490 15/20 0.44
BIRC3 Q13489 13/20 0.43

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
SCHEMBL10075881 0.96 XIAP (0.47) XIAPBIRC2BIRC3
SCHEMBL10076584 0.96 XIAP (0.47) XIAPBIRC2BIRC3
SCHEMBL10076777 0.94 BIRC2 (0.45) XIAPBIRC2BIRC3
SCHEMBL10075876 0.92 BIRC2 (0.46) XIAPBIRC2BIRC3
SCHEMBL10076789 0.91 XIAP (0.45) XIAPBIRC2BIRC3
SCHEMBL10077027 0.91 BIRC2 (0.47) XIAPBIRC2BIRC3
SCHEMBL13476036 0.91 XIAP (0.41) XIAPBIRC2BIRC3
SCHEMBL10076392 0.90 BIRC2 (0.44) XIAPBIRC2BIRC3
SCHEMBL10076784 0.87 BIRC2 (0.46) XIAPBIRC2BIRC3
SCHEMBL10075877 0.86 XIAP (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009141-A1 FUNCTIONALIZED PYRROLIDINES AND USE THEREOF AS IAP INHIBITORS PHARMASCIENCE INC. (CA) 2012-01-12 US disclosed
WO-2010015090-A1 FUNCTIONALIZED PYRROLIDINES AND USE THEREOF AS IAP INHIBITORS AEGERA THERAPEUTICS INC. (CA) 2010-02-11 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 (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-20120009141-A1 FUNCTIONALIZED PYRROLIDINES AND USE THEREOF AS IAP INHIBITORS BIRC5, BIRC7, BIRC2 XIAP 4/4885BIRC2 3/4885BIRC3 5/4885

“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.