SCHEMBL357653

SCHEMBL357653

N[C@@H](CS)C(=O)OC(=O)c1nccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
RBBP9 O75884 5/20 0.35
PLA2G4A P47712 2/20 0.34
CYP1A2 P05177 3/20 0.33
CYP2D6 P10635 3/20 0.33
CYP2C19 P33261 3/20 0.33
CASP3 P42574 2/20 0.33
SENP8 Q96LD8 2/20 0.33
SENP7 Q9BQF6 2/20 0.33
SENP6 Q9GZR1 2/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CES1 P23141 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.32
NOS1 P29475 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC7A11 Q9UPY5 1/20 0.32

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
SCHEMBL358313 0.81 GSR (0.38) ALDH1A1RBBP9PLA2G4ACYP1A2CYP2D6
SCHEMBL367781 0.80 PLA2G4A (0.46) ALDH1A1RBBP9PLA2G4ACYP1A2CYP2D6
Cysteine SCHEMBL357652 0.76 PTGS1 (0.50) ALDH1A1RBBP9PLA2G4ACYP1A2CASP3
Cysteine SCHEMBL1986796 0.76 PTGS1 (0.50) ALDH1A1RBBP9PLA2G4ACYP1A2CASP3
SCHEMBL359194 0.75 SLC1A5 (0.46) ALDH1A1RBBP9PLA2G4ACYP1A2CYP2D6
SCHEMBL359025 0.73 ALDH1A1 (0.47) ALDH1A1RBBP9PLA2G4ACYP1A2CYP2D6
SCHEMBL25242978 0.71 ALDH1A1 (0.57) ALDH1A1RBBP9PLA2G4ACYP1A2CYP2D6
SCHEMBL25243570 0.71 ALDH1A1 (0.52) ALDH1A1RBBP9PLA2G4ACYP1A2CYP2D6
SCHEMBL360729 0.71 CES1 (0.33) CES1PTGS1SLC7A11
SCHEMBL20746452 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11992518-B2 Molecular vaccines for infectious disease AGILENT TECHNOLOGIES, INC. (US) 2024-05-28 US disclosed
EP-3334498-B1 METHODS OF TREATING VOLUME DEPLETION AND KIDNEY INJURY UNIV COLUMBIA (US) 2023-06-07 EP disclosed
US-11119104-B2 Methods of treating volume depletion and kidney injury THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-09-14 US disclosed
US-10968269-B1 MHC multimers in borrelia diagnostics and disease AGILENT TECHNOLOGIES, INC. (US) 2021-04-06 US disclosed
US-20210047383-A1 MHC Multimers in Borrelia Diagnostics and Disease DAKO DENMARK APS (DK) 2021-02-18 US disclosed
US-20200347103-A1 MHC MULTIMERS IN TUBERCULOSIS DIAGNOSTICS, VACCINE AND THERAPEUTICS AGILENT TECHNOLOGIES INC (US) 2020-11-05 US disclosed
US-10611818-B2 MHC multimers in tuberculosis diagnostics, vaccine and therapeutics AGILENT TECHNOLOGIES, INC. (US) 2020-04-07 US disclosed
US-20190314471-A1 MOLECULAR VACCINES FOR INFECTIOUS DISEASE AGILENT TECHNOLOGIES, INC. 2019-10-17 US disclosed
US-10369204-B2 Molecular vaccines for infectious disease DAKO DENMARK A/S (DK) 2019-08-06 US disclosed
EP-3334498-A1 METHODS OF TREATING VOLUME DEPLETION AND KIDNEY INJURY The Trustees of Columbia University in the City of New York (US) 2018-06-20 EP disclosed
WO-2003020897-A2 COMPOSITIONS AND METHODS RELATING TO OVARY SPECIFIC GENES AND PROTEINS DIADEXUS, INC. (US) 2003-03-13 WO disclosed
WO-2003020934-A1 COMPOSITIONS AND METHODS RELATING TO COLON SPECIFIC GENES AND PROTEINS DIADEXUS, INC. (US) 2003-03-13 WO disclosed
WO-2003020899-A2 COMPOSITIONS AND METHODS RELATING TO LUNG SPECIFIC GENES AND PROTEINS DIADEXUS, INC. (US) 2003-03-13 WO disclosed
WO-2003020953-A2 COMPOSITIONS AND METHODS RELATING TO COLON SPECIFIC GENES AND PROTEINS DIADEXUS, INC. (US) 2003-03-13 WO disclosed
WO-2003020900-A2 COMPOSITIONS AND METHODS RELATING TO BREAST SPECIFIC GENES AND PROTEINS DIADEXUS, INC. (US) 2003-03-13 WO disclosed
WO-2003020901-A2 COMPOSITIONS AND METHODS RELATING TO PROSTATE SPECIFIC GENES AND PROTEINS DIADEXUS, INC. (US) 2003-03-13 WO disclosed
US-20020102610-A1 Automated identification of peptides OXFORD GLYCOSCIENCES (UK) LTD. (GB) 2002-08-01 US disclosed
US-20020055186-A1 Detection of peptides OXFORD GLYCOSCIENCES (UK) LTD. 2002-05-09 US disclosed
WO-2002025287-A2 DETECTION OF PEPTIDES OXFORD GLYCOSCIENCES (UK) LTD. (GB) 2002-03-28 WO disclosed
WO-2002021139-A2 AUTOMATED IDENTIFICATION OF PEPTIDES OXFORD GLYCOSCIENCES (UK) LTD. (GB) 2002-03-14 WO disclosed