SCHEMBL812941

SCHEMBL812941

CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)C(=O)CCl)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.61
OPRD1 P41143 3/20 0.55
BACE1 P56817 3/20 0.54
BACE2 Q9Y5Z0 3/20 0.54
CASP3 P42574 2/20 0.48
CASP7 P55210 1/20 0.48
CASP9 P55211 1/20 0.44
REN P00797 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
SCHEMBL23931322 1.00 CASP1 (0.61) CASP1OPRD1BACE1BACE2CASP3
SCHEMBL18087495 0.91 CASP1 (0.63) CASP1OPRD1BACE1BACE2CASP3
SCHEMBL19970821 0.91 CASP1 (0.63) CASP1OPRD1BACE1BACE2CASP3
SCHEMBL24310825 0.91 CASP1 (0.63) CASP1OPRD1BACE1BACE2CASP3
SCHEMBL478003 0.90 OPRD1 (0.62) CASP1OPRD1BACE1BACE2
SCHEMBL27825824 0.88 CASP1 (0.67) CASP1OPRD1BACE1BACE2CASP3
SCHEMBL9241543 0.88 CASP1 (0.67) CASP1OPRD1BACE1BACE2CASP3
SCHEMBL29030118 0.88 CASP1 (0.64) CASP1OPRD1BACE1BACE2CASP3
SCHEMBL2037941 0.87 CASP1 (0.67) CASP1CASP3CASP7CASP9REN
SCHEMBL6376450 0.86 CASP1 (0.57) CASP1OPRD1BACE1BACE2CASP3

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090232866-A1 Oligopeptides as coating material for medical products HEMOTEQ AG (DE) 2009-09-17 US claimed
JP-2007507264-A 2007-03-29 JP claimed
EP-1670502-A2 OLIGOPEPTIDES AS COATING MATERIAL FOR MEDICAL PRODUCTS Hemoteq GmbH (DE) 2006-06-21 EP claimed
WO-2005039629-A2 CASPASE INHIBITORS AS COATING MATERIEL FOR MEDICAL PRODUCTS FOR INHIBITING RESTENOSIS HEMOTEQ GMBH (DE) 2005-05-06 WO claimed
US-20030105046-A1 Interleukin converting enzyme (ICE) and central nervous system damage THE GENERAL HOSPITAL CORPORATION 2003-06-05 US claimed
WO-1998057664-A9 INTERLEUKIN CONVERTING ENZYME (ICE) AND CENTRAL NERVOUS SYSTEM DAMAGE YUAN JUNYING (US) 1999-04-08 WO claimed
WO-1998057664-A1 INTERLEUKIN CONVERTING ENZYME (ICE) AND CENTRAL NERVOUS SYSTEM DAMAGE THE GENERAL HOSPITAL CORPORATION (US) 1998-12-23 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-20230313303-A1 COMPOSITIONS AND METHODS FOR REDUCING CELL-FREE DNA MEDICAL COLLEGE WISCONSIN INC (US) 2023-10-05 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
US-20230218726-A1 TREATMENT OF VIRAL CONJUNCTIVITIS OKOGEN, INC. 2023-07-13 US disclosed
US-20230138927-A1 METHODS FOR ASSESSING THE SEVERITY OF, AND FOR INHIBITING, PRO-INFLAMMATORY RESPONSES WITH TOTAL CELL-FREE DNA THE MEDICAL COLLEGE OF WISCONSIN, INC. (US) 2023-05-04 US disclosed
EP-4153265-A1 COMPOSITIONS AND METHODS FOR REDUCING CELL-FREE DNA The Medical College of Wisconsin, Inc. (US) 2023-03-29 EP disclosed
EP-1361897-A2 METHODS FOR INHIBITING PAIN THE GENERAL HOSPITAL CORPORATION (US) 2003-11-19 EP disclosed
US-20030105046-A1 Interleukin converting enzyme (ICE) and central nervous system damage THE GENERAL HOSPITAL CORPORATION 2003-06-05 US disclosed
US-20020136714-A1 Treatment of inflammatory diseases and/or diseases characterized by cell deaths, as well as cancers, autoimmune disorders, infections HORVITZ H ROBERT (US) 2002-09-26 US disclosed
WO-2002038035-A2 METHODS FOR INHIBITING PAIN THE GENERAL HOSPITAL CORPORATION (US) 2002-05-16 WO disclosed
US-5962301-A Relatedness of human interleukin-1β convertase gene to a C. elegans cell death gene, inhibitory portions of these genes and uses therefor MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1999-10-05 US disclosed
WO-1998057664-A9 INTERLEUKIN CONVERTING ENZYME (ICE) AND CENTRAL NERVOUS SYSTEM DAMAGE YUAN JUNYING (US) 1999-04-08 WO disclosed
WO-1998057664-A1 INTERLEUKIN CONVERTING ENZYME (ICE) AND CENTRAL NERVOUS SYSTEM DAMAGE THE GENERAL HOSPITAL CORPORATION (US) 1998-12-23 WO disclosed