SCHEMBL3731163

SCHEMBL3731163

CC(NCC(=O)OC(C)(C)C)C(=O)NC(C(=O)N1CCCC1C(=O)OCc1ccccc1)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 8/20 0.49
▸ CMA1 P23946 1/20 0.48
▸ BIRC2 Q13490 4/20 0.45
▸ XIAP P98170 1/20 0.45
▸ BIRC3 Q13489 1/20 0.45
▸ CTSL P07711 1/20 0.44
▸ PREP P48147 2/20 0.43
▸ KLK5 Q9Y337 1/20 0.43
▸ ACE P12821 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ CASP2 P42575 1/20 0.43
▸ CASP4 P49662 1/20 0.43
▸ CASP5 P51878 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ CASP9 P55211 1/20 0.43
▸ CASP8 Q14790 1/20 0.43
▸ CASP10 Q92851 1/20 0.43

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
SCHEMBL9608868 0.87 BIRC2 (0.54) FKBP1ABIRC2XIAPBIRC3PREP
SCHEMBL3470867 0.85 CTSL (0.56) FKBP1ACMA1CTSLPREPKLK5
SCHEMBL13951237 0.85 CTSL (0.56) FKBP1ACMA1CTSLPREPKLK5
SCHEMBL8133863 0.85 CTSL (0.56) FKBP1ACMA1CTSLPREPKLK5
SCHEMBL3732940 0.84 ACE (0.43) CMA1BIRC2XIAPBIRC3ACE
SCHEMBL9611893 0.84 FKBP1A (0.49) FKBP1ACMA1BIRC2XIAPBIRC3
SCHEMBL3731164 0.84 FKBP1A (0.49) FKBP1ACMA1BIRC2XIAPBIRC3
SCHEMBL15251722 0.82 FKBP1A (0.51) FKBP1ACMA1CTSLKLK5ACE
SCHEMBL15251721 0.82 FKBP1A (0.51) FKBP1ACMA1CTSLKLK5ACE
SCHEMBL8056455 0.82 PREP (0.57) FKBP1ACMA1CTSLPREPKLK5

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 FKBP1A 1684/4885CMA1 3866/4885BIRC2 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.

Send feedback