SCHEMBL3732909

SCHEMBL3732909

CC(NCc1ccccc1)C(=O)NC(C(=O)N1CCCC1C(=O)O)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 12/20 0.52
▸ LMNA P02545 1/20 0.49
▸ ACE2 Q9BYF1 4/20 0.48
▸ LTA4H P09960 2/20 0.48
▸ BIRC2 Q13490 3/20 0.47
▸ XIAP P98170 1/20 0.47
▸ BIRC3 Q13489 1/20 0.47
▸ ELANE P08246 1/20 0.47

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
SCHEMBL6438290 0.85 ACE (0.65) ACELMNAACE2LTA4H
SCHEMBL6436560 0.85 ACE (0.65) ACELMNAACE2LTA4H
SCHEMBL6438293 0.85 ACE (0.65) ACELMNAACE2LTA4H
SCHEMBL6436563 0.85 ACE (0.65) ACELMNAACE2LTA4H
SCHEMBL3729230 0.83 ACE (0.47) ACELMNAACE2LTA4HBIRC2
SCHEMBL13260002 0.83 XIAP (0.58) BIRC2XIAPBIRC3
SCHEMBL3733310 0.82 ACE (0.46) ACELMNAACE2LTA4HBIRC2
SCHEMBL3729376 0.82 ACE (0.46) ACELMNAACE2LTA4HBIRC2
SCHEMBL10659497 0.81 ACE (0.61) ACELMNAACE2LTA4H
SCHEMBL3722484 0.81 BIRC2 (0.50) ACELMNAACE2LTA4HBIRC2

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 ACE 3012/4885LMNA 2061/4885ACE2 2991/4885

“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.

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