SCHEMBL3723779

SCHEMBL3723779

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.46
TLR1 Q15399 1/20 0.46
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
CXCR3 P49682 8/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
MDM2 Q00987 1/20 0.37
ACE P12821 1/20 0.37
KMT2A Q03164 1/20 0.37
BIRC2 Q13490 1/20 0.37
XIAP P98170 1/20 0.37

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
SCHEMBL13260142 1.00 TLR2 (0.46) TLR2TLR1ITGB3ITGA2BCXCR3
SCHEMBL3731477 0.91 TLR2 (0.39) TLR2TLR1BIRC2XIAP
SCHEMBL3731479 0.91 XIAP (0.39) TLR2TLR1BIRC2XIAP
SCHEMBL13260140 0.91 TLR2 (0.39) TLR2TLR1BIRC2XIAP
SCHEMBL3733114 0.89 XIAP (0.45) BIRC2XIAP
SCHEMBL13260143 0.89 XIAP (0.45) BIRC2XIAP
SCHEMBL13260124 0.89 XIAP (0.45) BIRC2XIAP
Trifluoroacetic Acid SCHEMBL3728330 0.88 XIAP (0.45) BIRC2XIAP
SCHEMBL13260135 0.87 KMT2A (0.41) KMT2ABIRC2XIAP
Hydrochloric Acid SCHEMBL3726187 0.86 KMT2A (0.41) KMT2ABIRC2XIAP

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 6 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
EP-1773348-A4 TETRAPEPTIDE ANALOGS IDUN PHARMACEUTICALS INC (US) 2009-05-20 EP disclosed
EP-1773348-A2 TETRAPEPTIDE ANALOGS Idun Pharmaceuticals, Inc. (US) 2007-04-18 EP disclosed
WO-2006017295-A2 TETRAPEPTIDE ANALOGS IDUN PHARMACEUTICALS, INC. (US) 2006-02-16 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-20100190688-A1 Tetrapeptide analogs TP53, PCNA, HRAS TLR2 4382/4885TLR1 3591/4885ITGB3 4507/4885

“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.