SCHEMBL9609060

SCHEMBL9609060

C[C@@H](C(=O)N[C@H]1CCC[C@H]2CC[C@@H](C(=O)N[C@H]3CCCc4ccccc43)N2C1=O)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
XIAP P98170 19/20 0.67
BIRC3 Q13489 6/20 0.67
BIRC2 Q13490 6/20 0.67
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL3726112 1.00 XIAP (0.67) XIAPBIRC3BIRC2MEN1HTT
SCHEMBL15494083 0.92 XIAP (0.58) XIAPBIRC3BIRC2MEN1HTT
SCHEMBL12852008 0.92 XIAP (0.58) XIAPBIRC3BIRC2MEN1HTT
SCHEMBL18651788 0.88 XIAP (0.54) XIAPBIRC3BIRC2MEN1HTT
SCHEMBL19107325 0.88 XIAP (0.54) XIAPBIRC3BIRC2MEN1HTT
SCHEMBL15759005 0.88 XIAP (0.54) XIAPBIRC3BIRC2MEN1HTT
SCHEMBL17211525 0.88 XIAP (0.54) XIAPBIRC3BIRC2MEN1HTT
SCHEMBL17211521 0.88 XIAP (0.54) XIAPBIRC3BIRC2MEN1HTT
SCHEMBL17211527 0.88 XIAP (0.54) XIAPBIRC3BIRC2MEN1HTT
SCHEMBL17211520 0.88 XIAP (0.54) XIAPBIRC3BIRC2MEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457896-A1 Tripeptides as caspase modulators Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed
EP-2457895-A1 Tetrapeptide analogs Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed
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 141/4885BIRC3 222/4885BIRC2 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.