SCHEMBL359889

SCHEMBL359889

N[C@@H](Cc1c[nH]c(C(=O)[C@@H](N)CS)n1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
PTGS1 P23219 2/20 0.42
SLC7A11 Q9UPY5 1/20 0.42
SLC7A5 Q01650 3/20 0.40
CYP3A4 P08684 3/20 0.40
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 2/20 0.37
BLM P54132 2/20 0.37
PMP22 Q01453 2/20 0.37
KMT2A Q03164 2/20 0.37
HIF1A Q16665 2/20 0.37
MEN1 O00255 1/20 0.37
MPO P05164 1/20 0.37
SLC1A3 P43003 1/20 0.36
PKM P14618 2/20 0.36
ALPI P09923 1/20 0.36
XIAP P98170 1/20 0.36
HSD17B10 Q99714 3/20 0.35

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
SCHEMBL7782852 0.84 CYP1A2 (0.43) CYP1A2PTGS1SLC7A11SLC7A5CYP3A4
SCHEMBL9717852 0.84 CYP1A2 (0.43) CYP1A2PTGS1SLC7A5CYP3A4KDM4E
SCHEMBL9717841 0.84 CYP1A2 (0.43) CYP1A2PTGS1SLC7A5CYP3A4KDM4E
SCHEMBL31370049 0.82 CYP1A2 (0.46) CYP1A2PTGS1SLC7A5CYP3A4KDM4E
Cysteine SCHEMBL2769343 0.80 PTGS1 (0.42) CYP1A2PTGS1SLC7A11SLC7A5CYP3A4
SCHEMBL25354296 0.78 CYP1A2 (0.43) CYP1A2PTGS1SLC7A5CYP3A4KDM4E
SCHEMBL25354300 0.78 CYP1A2 (0.43) CYP1A2PTGS1SLC7A5CYP3A4KDM4E
SCHEMBL1065159 0.77 SLC7A5 (0.45) CYP1A2PTGS1SLC7A5CYP3A4KDM4E
SCHEMBL1065160 0.77 SLC7A5 (0.45) CYP1A2PTGS1SLC7A5CYP3A4KDM4E
SCHEMBL25354014 0.77 SLC7A5 (0.44) CYP1A2PTGS1SLC7A5CYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-2593472-B1 ANCESTRAL PROTEINS UNIV COLUMBIA (US) 2018-05-16 EP disclosed
US-9880088-B2 Force-clamp spectrometer with functionalized cantilever tip THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-01-30 US disclosed
US-20180016562-A1 ANCESTRAL PROTEINS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2018-01-18 US disclosed
US-9682123-B2 Methods of treating metabolic disease THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-06-20 US disclosed
WO-2017027858-A1 METHODS OF TREATING VOLUME DEPLETION AND KIDNEY INJURY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-02-16 WO disclosed
US-20150190466-A1 METHODS OF TREATING METABOLIC DISEASE NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-07-09 US disclosed
US-20130252307-A1 ANCESTRAL PROTEINS GEORGIA TECH RESEARCH CORPORATION (US) 2013-09-26 US disclosed
WO-2003020934-A1 COMPOSITIONS AND METHODS RELATING TO COLON SPECIFIC GENES AND PROTEINS DIADEXUS, INC. (US) 2003-03-13 WO disclosed
WO-2003020897-A2 COMPOSITIONS AND METHODS RELATING TO OVARY 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
WO-2003020900-A2 COMPOSITIONS AND METHODS RELATING TO BREAST 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-2003020899-A2 COMPOSITIONS AND METHODS RELATING TO LUNG 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