SCHEMBL1576857

SCHEMBL1576857

O=[N+]([O-])c1ccc([S+]([O-])c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HSD17B10 Q99714 2/20 0.52
ACHE P22303 1/20 0.52
LMNA P02545 1/20 0.50
CES1 P23141 1/20 0.48
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
CA12 O43570 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL2816722 0.91 ALDH1A1 (0.60) ALDH1A1HSD17B10ACHELMNACES1
SCHEMBL9320514 0.89 ALDH1A1 (0.72) ALDH1A1HSD17B10ACHELMNACA1
SCHEMBL7937275 0.89 CES1 (0.45) ALDH1A1HSD17B10ACHELMNACES1
SCHEMBL7929162 0.89 HSPB1 (0.58) ALDH1A1HSD17B10ACHELMNATDP1
SCHEMBL28288615 0.89 ACHE (0.72) ALDH1A1HSD17B10ACHELMNARECQL
SCHEMBL11859969 0.84 TDP1 (0.75) ALDH1A1LMNACES1CA1CA2
SCHEMBL2889414 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10ACHELMNACES1
SCHEMBL13359585 0.81 HSD17B10 (0.54) ALDH1A1HSD17B10ACHELMNACES1
SCHEMBL31518578 0.81 ALDH1A1 (0.54) ALDH1A1HSD17B10ACHELMNACES1
SCHEMBL514043 0.81 HSD17B10 (0.54) ALDH1A1HSD17B10ACHELMNACES1

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
US-9469604-B2 Method of manufacturing sulfonium salt TOYO GOSEI CO., LTD. (JP) 2016-10-18 US claimed
WO-2002068586-A2 HIV/FIV PROTEASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2002-09-06 WO claimed
JP-57126982-A None JP disclosed
US-9469604-B2 Method of manufacturing sulfonium salt TOYO GOSEI CO., LTD. (JP) 2016-10-18 US disclosed
US-20160068477-A1 METHOD OF MANUFACTURING SULTONIUM SALT TOYO GOSEI CO., LTD. (JP) 2016-03-10 US disclosed
US-8580998-B2 Preparation of alkenes by mild thermolysis of sulfoxides UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2013-11-12 US disclosed
EP-2308865-B1 Novel aromatic sulfonium salt compound, photo-acid generator comprising the same and photopolymerizable composition containing the same, resin composition for optical three-dimensional shaping, and method of optically forming three-dimensional shape ADEKA CORP (JP) 2013-08-07 EP disclosed
EP-1557413-B1 NOVEL AROMATIC SULFONIUM SALT COMPOUND, PHOTO-ACID GENERATOR COMPRISING THE SAME AND PHOTOPOLYMERIZABLE COMPOSITION CONTAINING THE SAME, RESIN COMPOSITION FOR OPTICAL THREE-DIMENSIONAL SHAPING, AND METHOD OF OPTICALLY FORMING THREE-DIMENSIONAL SHAPE ADEKA CORP (JP) 2012-08-01 EP disclosed
US-20110230641-A1 PREPARATION OF ALKENES BY MILD THERMOLYSIS OF SULFOXIDES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC,. 2011-09-22 US disclosed
EP-2308865-A1 Novel aromatic sulfonium salt compound, photo-acid generator comprising the same and photopolymerizable composition containing the same, resin composition for optical three-dimensional shaping, and method of optically forming three-dimensional shape Adeka Corporation (JP) 2011-04-13 EP disclosed
WO-2010068371-A2 PREPARATION OF ALKENES BY MILD THERMOLYSIS OF SULFOXIDES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2010-06-17 WO disclosed
EP-1334956-B1 Method for preparing sulfone or sulfoxide compound SUMITOMO CHEMICAL CO (JP) 2010-03-17 EP disclosed
US-7611817-B2 Capable of providing stereolithographic resin compositions which do not suffer from hindrance to curing by oxygen, can easily give shaped articles having desired sizes by virtue of high accuracy thereof in curing, can attain satisfactory curing depth owing to high sensitivity thereof for radiant energy ADEKA CORPORATION (JP) 2009-11-03 US disclosed
US-20060055088-A1 Novel aromatic sulfonium salt compound, photo-acid generator comprising the same and photopolymerizable composition containing the same, resin composition for optical three-dimensional shaping and method of optically forming tree-dimensional shape ASAHI DENKA CO. LTD. (JP) 2006-03-16 US disclosed
EP-1557413-A1 NOVEL AROMATIC SULFONIUM SALT COMPOUND, PHOTO-ACID GENERATOR COMPRISING THE SAME AND PHOTOPOLYMERIZABLE COMPOSITION CONTAINING THE SAME, RESIN COMPOSITION FOR OPTICAL THREE-DIMENSIONAL SHAPING, AND METHOD OF OPTICALLY FORMING THREE-DIMENSIONAL SHAPE Asahi Denka Co., Ltd. (JP) 2005-07-27 EP disclosed
US-6916938-B2 Method for preparing sulfone or sulfoxide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-12 US disclosed
US-20030171589-A1 Method for preparing sulfone or sulfoxide compound SUMITOMO CHEMICAL COMPANY, LIMITED 2003-09-11 US disclosed
EP-1334956-A2 Method for preparing sulfone or sulfoxide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-08-13 EP disclosed
WO-2002068586-A2 HIV/FIV PROTEASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2002-09-06 WO disclosed
JP-S57126982-A PREPARATION OF 4,4'-DINITRODIPHENYLSULFONE AND 4,4'- DINITRODIPHENYLSULFOXIDE OOSAKASHI 1982-08-06 JP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060055088-A1 Novel aromatic sulfonium salt compound, photo-acid generator comprising the same and photopolymerizable composition containing the same, resin composition for optical three-dimensional shaping and method of optically forming tree-dimensional shape ARSA, NOX5, ATIC ALDH1A1 525/4885HSD17B10 2669/4885ACHE 3818/4885
US-20030171589-A1 Method for preparing sulfone or sulfoxide compound TST, SDHB, GPX4 ALDH1A1 2869/4885HSD17B10 1204/4885ACHE 1945/4885
US-20110230641-A1 PREPARATION OF ALKENES BY MILD THERMOLYSIS OF SULFOXIDES PTMS, DNPEP, SRMS ALDH1A1 783/4885HSD17B10 1323/4885ACHE 2954/4885
US-20160068477-A1 METHOD OF MANUFACTURING SULTONIUM SALT STS, SULT1A1, ARSA ALDH1A1 1425/4885HSD17B10 1029/4885ACHE 3632/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.