SCHEMBL3725327

SCHEMBL3725327

CC(C)C(NC(=O)C(C)N(C)C(=O)OC(C)(C)C)C(=O)N1C(C(=O)NC2CCCc3ccccc32)CC2CCCCC21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
BIRC2 Q13490 14/20 0.42
XIAP P98170 11/20 0.42
CASP9 P55211 1/20 0.42
BIRC3 Q13489 9/20 0.42
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9608875 1.00 TSHR (0.44) TSHRBIRC2XIAPCASP9BIRC3
SCHEMBL9609030 0.89 TSHR (0.48) TSHRBIRC2XIAPCASP9BIRC3
SCHEMBL3732542 0.89 TSHR (0.48) TSHRBIRC2XIAPCASP9BIRC3
SCHEMBL13260038 0.85 BIRC2 (0.48) TSHRBIRC2XIAPCASP9BIRC3
SCHEMBL3729220 0.85 BIRC2 (0.48) TSHRBIRC2XIAPCASP9BIRC3
SCHEMBL13260178 0.85 BIRC2 (0.48) TSHRBIRC2XIAPCASP9BIRC3
SCHEMBL3726069 0.85 XIAP (0.45) TSHRBIRC2XIAPCASP9BIRC3
SCHEMBL9609015 0.85 XIAP (0.45) TSHRBIRC2XIAPCASP9BIRC3
SCHEMBL13260180 0.85 BIRC2 (0.47) TSHRBIRC2XIAPCASP9BIRC3
SCHEMBL3726008 0.85 BIRC2 (0.47) TSHRBIRC2XIAPCASP9BIRC3

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 TSHR 3117/4885BIRC2 259/4885XIAP 141/4885

“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.