SCHEMBL30002726

SCHEMBL30002726

CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)CCl

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 16/20 0.69
CASP7 P55210 12/20 0.69
CASP1 P29466 9/20 0.69
CASP9 P55211 6/20 0.69
CASP10 Q92851 3/20 0.55
CASP4 P49662 3/20 0.54
CASP8 Q14790 3/20 0.53
CASP5 P51878 1/20 0.53
CASP6 P55212 1/20 0.53
CTSB P07858 1/20 0.51
CTSK P43235 1/20 0.51

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
SCHEMBL2039051 0.91 CASP3 (0.69) CASP3CASP7CASP1CASP9CASP10
SCHEMBL29362585 0.90 CASP3 (0.76) CASP3CASP7CASP1CASP9CASP10
SCHEMBL17326941 0.89 CASP3 (0.72) CASP3CASP7CASP1CASP9CASP10
SCHEMBL29732392 0.89 CASP3 (0.71) CASP3CASP7CASP1CASP9CASP10
SCHEMBL20239336 0.89 CASP3 (0.71) CASP3CASP7CASP1CASP9CASP10
SCHEMBL29818103 0.87 CASP3 (0.64) CASP3CASP7CASP1CASP9CASP4
Naphthalene SCHEMBL8414904 0.87 CASP1 (0.64) CASP3CASP7CASP1CASP9CASP4
SCHEMBL7420154 0.87 CASP1 (0.64) CASP3CASP7CASP1CASP9CASP10
SCHEMBL16770334 0.86 CASP3 (0.68) CASP3CASP7CASP1CASP9CASP10
SCHEMBL2744395 0.86 CASP3 (0.68) CASP3CASP7CASP1CASP9CASP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024124212-A1 DEVICES AND METHODS FOR DETECTION OF DISEASE BIOMARKERS AND THERAPEUTIC EFFECTIVENESS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-13 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 claimed
WO-2024124212-A1 DEVICES AND METHODS FOR DETECTION OF DISEASE BIOMARKERS AND THERAPEUTIC EFFECTIVENESS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-13 WO disclosed
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
US-20230056661-A1 METHODS AND COMPOSITIONS FOR PRODUCTION OF XENOGENEIC ISLET CELLS AND TREATMENT OF INSULIN-RESISTANT OR -DEFICIENT CONDITIONS WITH THE SAME JPMORGAN CHASE BANK, N.A. 2023-02-23 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
CN-115605585-A Methods and compositions for producing xenogenic islet cells and treating insulin resistance or deficiency disorders with said xenogenic islet cells 杭州启函生物科技有限公司(CN) 2023-01-13 CN disclosed
CN-115551536-A Caspase inhibitors for enhanced wound repair and treatment of bacterial and viral infections 约翰斯·霍普金斯大学 2022-12-30 CN disclosed
EP-4087917-A1 METHODS AND COMPOSITIONS FOR PRODUCTION OF XENOGENEIC ISLET CELLS AND TREATMENT OF INSULIN-RESISTANT OR -DEFICIENT CONDITIONS WITH THE SAME Hangzhou Qihan Biotechnology Co., Ltd. (CN) 2022-11-16 EP disclosed