SCHEMBL10075883

SCHEMBL10075883

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(-c5ccc(-c6ccccc6)cc5)cs4)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C4CCCCC4)C3)cc2)C[C@H]1c1nc(-c2ccc(-c3ccccc3)cc2)cs1)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 7/20 0.49
XIAP P98170 16/20 0.42
BIRC3 Q13489 4/20 0.42
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39
CPT1B Q92523 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL10075889 1.00 BIRC2 (0.49) BIRC2XIAPBIRC3CPT2CPT1A
SCHEMBL10076784 0.95 BIRC2 (0.46) BIRC2XIAPBIRC3CPT2CPT1A
SCHEMBL10076365 0.94 BIRC2 (0.43) BIRC2XIAPBIRC3CPT2CPT1A
SCHEMBL10076386 0.92 BIRC2 (0.46) BIRC2XIAPBIRC3
SCHEMBL10075882 0.89 XIAP (0.44) BIRC2XIAPBIRC3LMNA
SCHEMBL10075887 0.88 BIRC2 (0.47) BIRC2XIAPBIRC3CPT1ALMNA
SCHEMBL13475971 0.88 BIRC2 (0.39) BIRC2XIAPBIRC3CPT2CPT1A
SCHEMBL10075867 0.88 BIRC2 (0.44) BIRC2XIAPBIRC3
SCHEMBL10075881 0.87 XIAP (0.47) BIRC2XIAPBIRC3
SCHEMBL10076586 0.87 BIRC2 (0.46) BIRC2XIAPBIRC3

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 BIRC2 3/4885XIAP 4/4885BIRC3 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.