SCHEMBL1584828

SCHEMBL1584828

O=[N+]([O-])c1ccc(S(=O)[O-])cc1.[Na+]

nearest known ligand 0.48

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 3/20 0.47
CA2 known ✓ P00918 3/20 0.47
CA12 known ✓ O43570 1/20 0.43
CA4 known ✓ P22748 1/20 0.43
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 2/20 0.48
ACHE P22303 1/20 0.48
LMNA P02545 1/20 0.46
CES1 P23141 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43

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
Lithium Ion SCHEMBL6690832 0.95 ALDH1A1 (0.48) ALDH1A1HSD17B10ACHECA1CA2
Silver SCHEMBL11302915 0.95 ALDH1A1 (0.48) ALDH1A1HSD17B10ACHECA1CA2
Potassium Ion SCHEMBL6693540 0.95 ALDH1A1 (0.48) ALDH1A1HSD17B10ACHECA1CA2
SCHEMBL6652423 0.77 CES1 (0.50) ALDH1A1HSD17B10ACHECA1CA2
SCHEMBL27909482 0.77 ALDH1A1 (0.72) ALDH1A1HSD17B10ACHECA1CA2
SCHEMBL22567 0.77 ALDH1A1 (0.72) ALDH1A1HSD17B10ACHECA1CA2
SCHEMBL11302917 0.76 CES1 (0.48) ALDH1A1HSD17B10ACHECA1CA2
SCHEMBL6690834 0.76 CES1 (0.48) ALDH1A1HSD17B10ACHECA1CA2
SCHEMBL6693542 0.76 CES1 (0.48) ALDH1A1HSD17B10ACHECA1CA2
SCHEMBL1584829 0.76 CES1 (0.48) ALDH1A1HSD17B10ACHECA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650330-B2 Process for the synthesis of aryl sulfones COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-05-16 US claimed
US-20160304447-A1 A PROCESS FOR THE SYNTHESIS OF ARYL SULFONES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-10-20 US claimed
WO-2015087352-A1 A PROCESS FOR THE SYNTHESIS OF ARYL SULFONES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-06-18 WO claimed
CN-122031506-A Chiral control 波涛生命科学有限公司 2026-05-15 CN disclosed
CN-120060869-A Electrocatalytic synthesis method of aryl sulfone compound 平顶山学院 2025-05-30 CN disclosed
WO-2025085848-A1 ANTIBACTERIAL COMPOUNDS ARREPATH, INC. (US) 2025-04-24 WO disclosed
US-20240229026-A1 CHIRAL CONTROL WAVE LIFE SCIENCES LTD. (SG) 2024-07-11 US disclosed
CN-115490621-B Preparation method of iodo-bicyclo [1.1.1] pentane derivative 浙江工业大学 2024-06-21 CN disclosed
CN-115197108-B Preparation method of gamma-ketosulfone compound 南华大学 2023-11-28 CN disclosed
EP-4219516-A2 CHIRAL CONTROL Wave Life Sciences Ltd. (SG) 2023-08-02 EP disclosed
US-11643657-B2 Chiral control WAVE LIFE SCIENCES LTD. (SG) 2023-05-09 US disclosed
US-20040034257-A1 Novel sulfone derivatives and process for producing these SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-02-19 US disclosed
EP-1359143-A1 NOVEL SULFONE DERIVATIVES AND PROCESS FOR PRODUCING THESE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-11-05 EP disclosed
EP-1231197-A1 Process for producing allyl halide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-08-14 EP disclosed
US-20020107422-A1 Process for producing allyl halide compound SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2002-08-08 US disclosed
US-4740596-A Process for preparation of 4-sulfonylthio azetidinone derivatives OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1988-04-26 US disclosed
US-4713452-A Process for preparation of azetidinone derivatives OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1987-12-15 US disclosed
US-4301278-A BY HYDROGENATION IN THE PRESENCE OF A CATALYST CIBA-GEIGY CORPORATION (US) 1981-11-17 US disclosed
US-4255328-A CEPHALOSPORINS CIBA-GEIGY CORPORATION (US) 1981-03-10 US disclosed
US-4147864-A Process for the manufacture of 7β-amino-3-cephem-3-ol-4 carboxylic acid compounds CIBA-GEIGY CORPORATION (US) 1979-04-03 US 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 (5 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-20040034257-A1 Novel sulfone derivatives and process for producing these RBP4, ADH4, RARB CA1 3756/4885CA2 3444/4885CA12 2287/4885
US-20240229026-A1 CHIRAL CONTROL RNGTT, POLI, NSUN3 CA1 467/4885CA2 904/4885CA12 876/4885
US-20160304447-A1 A PROCESS FOR THE SYNTHESIS OF ARYL SULFONES ARSA, TPST2, STS CA1 3612/4885CA2 1552/4885CA12 2293/4885
US-11643657-B2 Chiral control RNGTT, POLI, NSUN3 CA1 467/4885CA2 904/4885CA12 876/4885
US-20020107422-A1 Process for producing allyl halide compound ENY2, ZYX, RPS4Y1 CA1 4462/4885CA2 4250/4885CA12 4498/4885

“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.