SCHEMBL3492322

SCHEMBL3492322

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)CF)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.61
CAPN1 P07384 2/20 0.61
CTSL P07711 5/20 0.60
CTSB P07858 4/20 0.60
CTSS P25774 1/20 0.60
CTSK P43235 1/20 0.60

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
SCHEMBL3491951 0.90 CTSL (0.61) TACR1CAPN1CTSLCTSBCTSS
SCHEMBL18328618 0.88 TACR1 (0.64) TACR1CTSLCTSBCTSSCTSK
SCHEMBL9195401 0.88 TACR1 (0.64) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7740137 0.88 CAPN1 (0.69) CAPN1CTSLCTSBCTSSCTSK
Alanine SCHEMBL4504083 0.87 CAPN1 (0.56) TACR1CAPN1CTSLCTSBCTSS
SCHEMBL3165013 0.85 CTSK (0.67) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL12052836 0.84 TACR1 (0.70) TACR1CAPN1CTSLCTSBCTSS
SCHEMBL10049956 0.84 TACR1 (0.70) TACR1CAPN1CTSLCTSBCTSS
SCHEMBL16095807 0.84 TACR1 (0.70) TACR1CAPN1CTSLCTSBCTSS
SCHEMBL8100557 0.84 TACR1 (0.70) TACR1CAPN1CTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037471-A1 METHODS FOR DIAGNOSING & TREATING COPPER-DEPENDENT DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-02-09 US disclosed
US-20160175351-A1 CANCER TREATMENT DUKE UNIVERSITY 2016-06-23 US disclosed
EP-3013332-A1 CANCER TREATMENT Duke University (US) 2016-05-04 EP disclosed
WO-2015100300-A2 METHODS FOR DIAGNOSING AND TREATING COPPER-DEPENDENT DISEASES DUKE UNIVERSITY (US) 2015-07-02 WO disclosed
WO-2014209957-A1 CANCER TREATMENT DUKE UNIVERSITY (US) 2014-12-31 WO disclosed
EP-1626732-B1 MEANS FOR PREVENTING AND TREATING CELLULAR DEATH AND THEIR BIOLOGICAL APPLICATIONS CHIESI FARMA SPA (IT) 2013-04-03 EP disclosed
US-20120329721-A1 MEANS FOR PREVENTING AND TREATING CELLULAR DEATH AND THEIR BIOLOGICAL APPLICATIONS CHIESI FARMACEUTICI S.P.A. (IT) 2012-12-27 US disclosed
US-20100113369-A1 MEANS FOR PREVENTING AND TREATING CELLULAR DEATH AND THEIR BIOLOGICAL APPLICATIONS THERAPTOSIS S.A. (FR) 2010-05-06 US disclosed
US-20060241034-A1 Means for preventing and treating cellular death and their biological applications THERAPTOSIS S.A. (FR) 2006-10-26 US disclosed
EP-1626732-A2 MEANS FOR PREVENTING AND TREATING CELLULAR DEATH AND THEIR BIOLOGICAL APPLICATIONS Theraptosis S.A. (FR) 2006-02-22 EP disclosed
WO-2004103389-A2 MEANS FOR PREVENTING AND TREATING CELLULAR DEATH AND THEIR BIOLOGICAL APPLICATIONS THERAPTOSIS SA (FR) 2004-12-02 WO disclosed