SCHEMBL1272987

SCHEMBL1272987

CCO[C@@H]1C[C@@H]2CN(C(=O)[C@@H](NC(=O)[C@@H](N)CO)C3CCCCC3)[C@H](C(=O)N[C@@H]3CCOc4ccccc43)CN2C1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
XIAP P98170 20/20 0.72
BIRC2 Q13490 14/20 0.72
BIRC3 Q13489 7/20 0.72

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
SCHEMBL1272986 1.00 XIAP (0.72) XIAPBIRC2BIRC3
SCHEMBL1273582 0.95 XIAP (0.71) XIAPBIRC2BIRC3
SCHEMBL1273671 0.94 XIAP (0.74) XIAPBIRC2BIRC3
SCHEMBL1274133 0.93 XIAP (0.70) XIAPBIRC2BIRC3
SCHEMBL1273616 0.93 XIAP (0.72) XIAPBIRC2BIRC3
SCHEMBL1273737 0.93 XIAP (0.73) XIAPBIRC2BIRC3
SCHEMBL1273105 0.92 XIAP (0.69) XIAPBIRC2BIRC3
SCHEMBL1272963 0.92 XIAP (0.70) XIAPBIRC2BIRC3
SCHEMBL12874578 0.92 XIAP (0.74) XIAPBIRC2BIRC3
SCHEMBL1274048 0.91 XIAP (0.71) 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.