SCHEMBL3052108

SCHEMBL3052108

CCC(C)C(NC(=O)C(N)Cc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSD P07339 3/20 0.57
CTSC P53634 2/20 0.53
MME P08473 3/20 0.53
ACE P12821 1/20 0.53
CPA1 P15085 1/20 0.53
ACE2 Q9BYF1 1/20 0.53
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 1/20 0.53
ANPEP P15144 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ECE1 P42892 1/20 0.51
LTA4H P09960 1/20 0.49
ATM Q13315 1/20 0.48

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
SCHEMBL3052110 1.00 CTSD (0.57) CTSDCTSCMMEACECPA1
SCHEMBL30050842 0.97 CTSD (0.60) CTSDCTSCMMEACECPA1
SCHEMBL31462339 0.97 CTSD (0.60) CTSDCTSCMMEACECPA1
SCHEMBL29720334 0.95 CTSD (0.53) CTSDCTSCMMEACECPA1
SCHEMBL30051265 0.95 CTSD (0.53) CTSDCTSCMMEACECPA1
SCHEMBL3202596 0.95 CTSD (0.64) CTSDCTSCMMEACECPA1
SCHEMBL30050940 0.95 CTSD (0.64) CTSDCTSCMMEACECPA1
SCHEMBL30051904 0.94 MME (0.57) CTSDMMEACECPA1ACE2
SCHEMBL30052924 0.92 CTSD (0.64) CTSDCTSCMMEACECPA1
SCHEMBL31590754 0.92 MME (0.52) CTSDCTSCMMEACECPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116087482-B Biomarkers for severity typing of course of patients with 2019 novel coronavirus infection 广州国家实验室 2023-07-11 CN claimed
CN-116087482-A Biomarkers for novel patient progression severity typing for coronavirus infection 广州国家实验室 2023-05-09 CN claimed
EP-3805756-A1 SMALL MOLECULE BIOCHEMICAL PROFILING OF INDIVIDUAL SUBJECTS FOR DISEASE DIAGNOSIS AND HEALTH ASSESSMENT Metabolon, Inc. (US) 2021-04-14 EP claimed
CN-106537145-B Small molecule biochemical profiling of individual subjects for disease diagnosis and health assessment 麦特博隆股份有限公司 2020-08-25 CN claimed
CN-106537145-A Small molecule biochemical profiling of individual subjects for disease diagnosis and health assessment 麦特博隆股份有限公司 2017-03-22 CN claimed
EP-3129909-A1 SMALL MOLECULE BIOCHEMICAL PROFILING OF INDIVIDUAL SUBJECTS FOR DISEASE DIAGNOSIS AND HEALTH ASSESSMENT Metabolon, Inc. (US) 2017-02-15 EP claimed
WO-2015157407-A1 SMALL MOLECULE BIOCHEMICAL PROFILING OF INDIVIDUAL SUBJECTS FOR DISEASE DIAGNOSIS AND HEALTH ASSESSMENT METABOLON, INC. (US) 2015-10-15 WO claimed
US-20240230622-A9 Methods and Systems for Determining Autism Spectrum Disorder Risk LABORATORY CORPORATION OF AMERICA HOLDINGS (US) 2024-07-11 US disclosed
US-20240133865-A1 Methods and Systems for Determining Autism Spectrum Disorder Risk LABORATORY CORPORATION OF AMERICA HOLDINGS (US) 2024-04-25 US disclosed
US-20240019417-A1 Methods and Systems for Determining Autism Spectrum Disorder Risk LABORATORY CORPORATION OF AMERICA HOLDINGS (US) 2024-01-18 US disclosed
CN-116087482-B Biomarkers for severity typing of course of patients with 2019 novel coronavirus infection 广州国家实验室 2023-07-11 CN disclosed
US-11674948-B2 Methods and systems for determining autism spectrum disorder risk LABORATORY CORPORATION OF AMERICA HOLDINGS (US) 2023-06-13 US disclosed
CN-116087482-A Biomarkers for novel patient progression severity typing for coronavirus infection 广州国家实验室 2023-05-09 CN disclosed
EP-1424066-A1 Dry compositions comprising hydrophobic stabilisers OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP disclosed
EP-1402913-A1 DRY POWDER INHALATION SYSTEM FOR TRANSPULMONARY ADMINISTRATION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2004-03-31 EP disclosed
US-20030138402-A1 Dry compositions OTSUKA PHARMACEUTICAL CO., LTD. 2003-07-24 US disclosed
US-20030101995-A1 Dry powder inhalation system for transpulmonary administration OTSUKA PHARMACEUTICAL CO., LTD. 2003-06-05 US disclosed
CN-1205643-A dry composition OTSUKA PHARMA CO LTD (JP) 1999-01-20 CN disclosed
EP-0869816-A1 DRY COMPOSITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed
WO-1997023239-A1 DRY COMPOSITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-03 WO disclosed