SCHEMBL3733114

SCHEMBL3733114

CNC(C)C(=O)NC(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CSCC1C(=O)NC1CCCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XIAP P98170 17/20 0.45
BIRC2 Q13490 9/20 0.45
BIRC3 Q13489 8/20 0.45
BIRC7 Q96CA5 1/20 0.44

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
SCHEMBL13260124 1.00 XIAP (0.45) XIAPBIRC2BIRC3BIRC7
SCHEMBL13260143 1.00 XIAP (0.45) XIAPBIRC2BIRC3BIRC7
Trifluoroacetic Acid SCHEMBL3728330 0.96 XIAP (0.45) XIAPBIRC2BIRC3
SCHEMBL3731479 0.90 XIAP (0.39) XIAPBIRC2BIRC3
SCHEMBL13260142 0.89 TLR2 (0.46) XIAPBIRC2
SCHEMBL3723779 0.89 TLR2 (0.46) XIAPBIRC2
SCHEMBL3731477 0.88 TLR2 (0.39) XIAPBIRC2
SCHEMBL13260140 0.88 TLR2 (0.39) XIAPBIRC2
SCHEMBL13260135 0.86 KMT2A (0.41) XIAPBIRC2BIRC3
Hydrochloric Acid SCHEMBL3726187 0.86 KMT2A (0.41) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457895-A1 Tetrapeptide analogs Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP claimed
US-20100190688-A1 Tetrapeptide analogs IDUN PHARMACEUTICALS, INC. 2010-07-29 US claimed
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

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 141/4885BIRC2 259/4885BIRC3 222/4885

“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.