SCHEMBL1273005

SCHEMBL1273005

C[C@H](C(=O)N[C@H](C(=O)N1C[C@H]2C[C@H]3C[C@H]3N2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCCCC1)C(NC(=O)O)C(C)(C)C

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
XIAP P98170 20/20 0.77
BIRC2 Q13490 14/20 0.77
BIRC3 Q13489 7/20 0.58

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
SCHEMBL1272385 1.00 XIAP (0.77) XIAPBIRC2BIRC3
SCHEMBL1273466 0.88 XIAP (0.65) XIAPBIRC2BIRC3
SCHEMBL1273560 0.88 XIAP (0.76) XIAPBIRC2BIRC3
SCHEMBL1272862 0.88 XIAP (0.76) XIAPBIRC2BIRC3
SCHEMBL23467275 0.88 XIAP (0.99) XIAPBIRC2BIRC3
SCHEMBL12900680 0.88 XIAP (0.99) XIAPBIRC2BIRC3
SCHEMBL21341832 0.88 XIAP (0.99) XIAPBIRC2BIRC3
SCHEMBL21025826 0.88 XIAP (0.99) XIAPBIRC2BIRC3
SCHEMBL18472981 0.88 XIAP (0.99) XIAPBIRC2BIRC3
SCHEMBL18494900 0.88 XIAP (0.99) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034469-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-10 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-20110034469-A1 Heterocyclic Compound 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.