SCHEMBL1273293

SCHEMBL1273293

CCO[C@@H]1C[C@@H]2CN(C(=O)[C@@H](NC(=O)[C@@H](NC)C3CC3)C3CCC(F)(F)CC3)[C@H](C(=O)N[C@@H]3CCOc4ccccc43)CN2C1

nearest known ligand 0.90

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 20/20 0.90
▸ BIRC2 Q13490 13/20 0.90
▸ BIRC3 Q13489 8/20 0.90

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
SCHEMBL1164801 1.00 XIAP (0.90) XIAPBIRC2BIRC3
SCHEMBL1163171 0.95 XIAP (1.00) XIAPBIRC2BIRC3
SCHEMBL1164611 0.95 XIAP (1.00) XIAPBIRC2BIRC3
SCHEMBL29441250 0.95 XIAP (1.00) XIAPBIRC2BIRC3
SCHEMBL1273096 0.95 XIAP (1.00) XIAPBIRC2BIRC3
SCHEMBL23350062 0.95 XIAP (1.00) XIAPBIRC2BIRC3
SCHEMBL12932690 0.95 XIAP (1.00) XIAPBIRC2BIRC3
SCHEMBL20372584 0.95 XIAP (1.00) XIAPBIRC2BIRC3
SCHEMBL1273713 0.95 XIAP (1.00) XIAPBIRC2BIRC3
SCHEMBL1163843 0.95 XIAP (1.00) 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 3 patents. 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
US-20110034469-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-10 — — US disclosed
WO-2011016576-A1 ALANINE DERIVATIVES AS INHIBITORS OF APOPTOSIS PROTEINS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-10 — — 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-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.

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