SCHEMBL7318588

SCHEMBL7318588

Nc1c(I)cc(C[C@H](N)C(=O)O)cc1I

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 1/20 0.62
THRB P10828 6/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
LMNA P02545 4/20 0.57
THRA P10827 4/20 0.57
PPARG P37231 4/20 0.57
TTR P02766 2/20 0.57
ADORA3 P0DMS8 2/20 0.57
PDE4D Q08499 2/20 0.57
HSD17B10 Q99714 2/20 0.57
NR1I2 O75469 2/20 0.57
NR3C1 P04150 1/20 0.57
CYP1A2 P05177 1/20 0.57
HTR1A P08908 1/20 0.57
CYP2C9 P11712 1/20 0.57
TBXA2R P21731 1/20 0.57
NTSR1 P30989 1/20 0.57
HTR2B P41595 1/20 0.57
USP2 O75604 1/20 0.57

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
SCHEMBL7318580 1.00 SIRT5 (0.62) SIRT5THRBMEN1KMT2ALMNA
SCHEMBL4800230 0.89 SIRT5 (0.55) SIRT5THRBMEN1KMT2ALMNA
SCHEMBL4800217 0.89 SIRT5 (0.55) SIRT5THRBMEN1KMT2ALMNA
SCHEMBL5287785 0.87 SIRT5 (0.64) SIRT5THRBMEN1KMT2ALMNA
SCHEMBL7270666 0.87 SIRT5 (0.64) SIRT5THRBMEN1KMT2ALMNA
Diotyrosine SCHEMBL147579 0.85 SIRT5 (0.82) SIRT5THRBMEN1KMT2ALMNA
Diotyrosine SCHEMBL838215 0.85 SIRT5 (0.82) SIRT5THRBMEN1KMT2ALMNA
Diotyrosine SCHEMBL147578 0.85 SIRT5 (0.82) SIRT5THRBMEN1KMT2ALMNA
Diotyrosine SCHEMBL1741366 0.84 SIRT5 (0.79) SIRT5THRBMEN1KMT2ALMNA
SCHEMBL14064744 0.84 SIRT5 (0.65) SIRT5THRBMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950046-B1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS NAEJA PHARMACEUTICAL INC (CA) 2002-04-10 EP claimed
US-6232305-B1 ANTICANCER AGENTS; BONE DISORDERS; ANTIARTHRITIC AGENTS; RESPIRATORY SYSTEM DISORDERS NAEJA PHARMACEUTICAL INC. (CA) 2001-05-15 US claimed
EP-0950046-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (CA) 1999-10-20 EP claimed
US-5959123-A REACATING SUBSTITUTED AMINO ACID WITH 3-AMINO-4-SUBSTITUTED-AZETIDINE-2-ONE COMPOUND TO FORM 3, 4-DISUBSTITUTED-AZETIDINE-2-ONE COMPOUND; USEFUL FOR TREATING MUSCULAR DYSTROPHY, ARTHRITIS, VIRAL AND PARASITIC INFECTIONS SYNPHAR LABORATORIES, INC. (CA) 1999-09-28 US claimed
WO-1998012176-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (US) 1998-03-26 WO claimed
WO-2025125353-A1 METHOD OF PREPARATION OF ZAVEGEPANT, SYNTHESIS INTERMEDIATES OF ZAVEGEPANT AND METHODS OF PREPARATION THEREOF MOEHS IBERICA, S.L. (ES) 2025-06-19 WO disclosed
EP-2796546-B1 Incorporation of unnatural amino acids SCRIPPS RESEARCH INST (US) 2017-08-09 EP disclosed
EP-2796546-A1 In vivo incorporation of unnatural amino acids The Scripps Research Institute (US) 2014-10-29 EP disclosed
US-20120202243-A1 IN Vivo Incorporation of Unnatural Amino Acids THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-08-09 US disclosed
US-8173392-B2 In vivo incorporation of unnatural amino acids THE SCRIPPS RESEARCH INSTITUTE (US) 2012-05-08 US disclosed
US-20120101006-A1 Methods and Compositions for the Production of Orthogonal tRNA-Aminoacyl tRNA Synthetase Pairs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-04-26 US disclosed
US-8012739-B2 Methods and compositions for the production of orthogonal tRNA-aminoacyl-tRNA synthetase pairs THE SCRIPPS RESEARCH INSTITUTE (US) 2011-09-06 US disclosed
US-20090227002-A1 Methods and compositions for the production of orthogonal tRNA-aminoacyl tRNA synthetase pairs THE SCRIPPS RESEARCH INSTITUTE and THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2009-09-10 US disclosed
US-20090068717-A1 In vivo incorporation of unnatural amino acids THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 US disclosed
US-20080227152-A1 Translation systems with orthogonal aminoacyl tRNA synthetase; membrane proteins THE SCRIPPS RESEARCH INSTITUTE (US) 2008-09-18 US disclosed
EP-0950046-B1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS NAEJA PHARMACEUTICAL INC (CA) 2002-04-10 EP disclosed
EP-0950046-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (CA) 1999-10-20 EP disclosed
US-5959123-A REACATING SUBSTITUTED AMINO ACID WITH 3-AMINO-4-SUBSTITUTED-AZETIDINE-2-ONE COMPOUND TO FORM 3, 4-DISUBSTITUTED-AZETIDINE-2-ONE COMPOUND; USEFUL FOR TREATING MUSCULAR DYSTROPHY, ARTHRITIS, VIRAL AND PARASITIC INFECTIONS SYNPHAR LABORATORIES, INC. (CA) 1999-09-28 US disclosed
WO-1998012176-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (US) 1998-03-26 WO disclosed
WO-1996022305-A2 MODIFIED PEPTIDES THE WELLCOME FOUNDATION LIMITED (GB) 1996-07-25 WO disclosed