SCHEMBL4100803

SCHEMBL4100803

CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NC(C=O)CC(=O)O)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 5/20 0.50
CASP3 P42574 3/20 0.50
CASP9 P55211 3/20 0.50
CASP7 P55210 1/20 0.50
GNPAT O15228 1/20 0.43
TASP1 Q9H6P5 1/20 0.43
ENPEP Q07075 5/20 0.42
BACE1 P56817 4/20 0.41
BACE2 Q9Y5Z0 2/20 0.41
CASP4 P49662 1/20 0.41
CASP5 P51878 1/20 0.41
CASP6 P55212 1/20 0.41
CASP8 Q14790 1/20 0.41
CASP10 Q92851 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
BMP1 P13497 1/20 0.39

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
SCHEMBL1674857 1.00 CASP1 (0.50) CASP1CASP3CASP9CASP7GNPAT
SCHEMBL13194679 1.00 CASP1 (0.50) CASP1CASP3CASP9CASP7GNPAT
SCHEMBL29310042 1.00 CASP1 (0.50) CASP1CASP3CASP9CASP7GNPAT
SCHEMBL10068454 0.98 CASP1 (0.47) CASP1CASP3CASP9CASP7GNPAT
SCHEMBL29802264 0.93 TASP1 (0.51) CASP1CASP3CASP9CASP7TASP1
SCHEMBL20257260 0.91 TASP1 (0.53) CASP1CASP3CASP9CASP7TASP1
SCHEMBL20257263 0.91 TASP1 (0.53) CASP1CASP3CASP9CASP7TASP1
SCHEMBL29664642 0.87 CASP1 (0.47) CASP1CASP3CASP9CASP7ENPEP
SCHEMBL23133189 0.87 CASP1 (0.49) CASP1CASP3CASP9CASP7GNPAT
SCHEMBL23133187 0.87 CASP1 (0.49) CASP1CASP3CASP9CASP7GNPAT

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240115649-A1 CASPASE INHIBITION TO ENHANCE REGENERATION AND REPAIR AFTER SKIN OR GUT INJURY AND TO TREAT BACTERIAL OR VIRAL INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-04-11 US claimed
WO-1996033209-A1 PEPTIDYL DERIVATIVES AS INHIBITORS OF PRO-APOPTOTIC CYSTEINE PROTEINASES MERCK FROSST CANADA INC. (CA) 1996-10-24 WO claimed
US-20240115649-A1 CASPASE INHIBITION TO ENHANCE REGENERATION AND REPAIR AFTER SKIN OR GUT INJURY AND TO TREAT BACTERIAL OR VIRAL INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-04-11 US disclosed
US-20230218705-A1 CASPASE INHIBITORS TO ENHANCE INJURY REPAIR AND TO TREAT BACTERIAL AND VIRAL INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-07-13 US disclosed
EP-4126010-A1 CASPASE INHIBITORS TO ENHANCE INJURY REPAIR AND TO TREAT BACTERIAL AND VIRAL INFECTIONS The Johns Hopkins University (US) 2023-02-08 EP disclosed
US-20090210956-A1 COMPOSITION AND METHOD FOR CLUSTERIN-MEDIATED STEM CELL THERAPY FOR TREATMENT OF ATHEROSCLEROSIS AND HEART FAILURE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-08-20 US disclosed
US-7524490-B2 Clusterin-mediated inhibition of apoptosis via stromal bone marrow cell delivery to a cardiac site BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-04-28 US disclosed
WO-2006053130-A2 COMPOSITION AND METHOD FOR CLUSTERIN-MEDIATED STEM CELL THERAPY FOR TREATMENT OF ATHEROSCLEROSIS AND HEART FAILURE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-05-18 WO disclosed
US-20060099194-A1 Composition and method for clusterin-mediated stem cell therapy for treatment of atherosclerosis and heart failure BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-05-11 US disclosed
EP-0822983-A4 APOPAIN MERCK & CO INC (US) 2004-12-15 EP disclosed
US-5798442-A Peptidyl derivatives as inhibitors of pro-apoptotic cysteine proteinases MERCK FROSST CANADA, INC. (CA) 1998-08-25 US disclosed
EP-0822983-A1 APOPAIN Merck & Co., Inc. (US) 1998-02-11 EP disclosed
WO-1996033209-A1 PEPTIDYL DERIVATIVES AS INHIBITORS OF PRO-APOPTOTIC CYSTEINE PROTEINASES MERCK FROSST CANADA INC. (CA) 1996-10-24 WO disclosed
WO-1996033268-A1 APOPAIN MERCK & CO., INC. (US) 1996-10-24 WO disclosed