SCHEMBL10075882

SCHEMBL10075882

CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)C2CCC(C(=O)N[C@H]3C[C@@H](c4nc(-c5ccccc5)cs4)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C4CCCCC4)C3)CC2)C[C@H]1c1nc(-c2ccccc2)cs1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XIAP P98170 16/20 0.44
BIRC3 Q13489 7/20 0.44
BIRC2 Q13490 10/20 0.42
LMNA P02545 1/20 0.40

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
SCHEMBL13475972 0.96 XIAP (0.41) XIAPBIRC3BIRC2LMNA
SCHEMBL10075883 0.89 BIRC2 (0.49) XIAPBIRC3BIRC2LMNA
SCHEMBL10075889 0.89 BIRC2 (0.49) XIAPBIRC3BIRC2LMNA
SCHEMBL10075887 0.89 BIRC2 (0.47) XIAPBIRC3BIRC2LMNA
SCHEMBL10076365 0.88 BIRC2 (0.43) XIAPBIRC3BIRC2
SCHEMBL10076784 0.86 BIRC2 (0.46) XIAPBIRC3BIRC2
SCHEMBL13576682 0.84 TRPV1 (0.53) XIAPBIRC3BIRC2
SCHEMBL10076386 0.83 BIRC2 (0.46) XIAPBIRC3BIRC2
SCHEMBL13475971 0.82 BIRC2 (0.39) XIAPBIRC3BIRC2
SCHEMBL12874927 0.82 XIAP (0.60) XIAPBIRC3BIRC2

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 1 patent. 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

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 4/4885BIRC3 5/4885BIRC2 3/4885

“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.