SCHEMBL13260002

SCHEMBL13260002

C[C@H](NCc1ccccc1)C(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XIAP P98170 11/20 0.58
CASP9 P55211 1/20 0.58
BIRC2 Q13490 16/20 0.58
BIRC3 Q13489 7/20 0.55

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
SCHEMBL8514532 0.91 BIRC2 (0.60) XIAPCASP9BIRC2BIRC3
SCHEMBL4315737 0.89 XIAP (0.70) XIAPCASP9BIRC2BIRC3
SCHEMBL30249738 0.89 XIAP (0.70) XIAPCASP9BIRC2BIRC3
SCHEMBL14421200 0.89 XIAP (0.70) XIAPCASP9BIRC2BIRC3
SCHEMBL14421116 0.89 XIAP (0.70) XIAPCASP9BIRC2BIRC3
SCHEMBL4562933 0.86 BIRC2 (0.56) XIAPCASP9BIRC2BIRC3
SCHEMBL13260011 0.86 XIAP (0.58) XIAPCASP9BIRC2BIRC3
SCHEMBL9609042 0.86 XIAP (0.58) XIAPCASP9BIRC2BIRC3
SCHEMBL3728566 0.85 XIAP (0.59) XIAPCASP9BIRC2BIRC3
SCHEMBL13260010 0.85 XIAP (0.59) XIAPCASP9BIRC2BIRC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190688-A1 Tetrapeptide analogs IDUN PHARMACEUTICALS, INC. 2010-07-29 US disclosed
US-20100190688-A1 Tetrapeptide analogs IDUN PHARMACEUTICALS, INC. 2010-07-29 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-20100190688-A1 Tetrapeptide analogs TP53, PCNA, HRAS XIAP 141/4885CASP9 2341/4885BIRC2 259/4885

“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.