SCHEMBL179824

SCHEMBL179824

O=C(Oc1ccccc1S(=O)(=O)[O-])c1ccccc1.[Na+]

nearest known ligand 0.54

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
ESR2 known ✓ Q92731 2/20 0.47
MAPT P10636 6/20 0.54
KMT2A Q03164 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
SLC6A3 Q01959 1/20 0.49
ESR1 P03372 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
JAK2 O60674 1/20 0.47
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 2/20 0.44
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TOP1 P11387 1/20 0.44
PARP10 Q53GL7 1/20 0.44
F2 P00734 1/20 0.42

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
SCHEMBL29466993 1.00 MAPT (0.54) MAPTKMT2ASMN1; SMN2SLC6A3ESR1
Potassium Ion SCHEMBL5974784 0.97 MAPT (0.54) MAPTKMT2ASMN1; SMN2SLC6A3ESR1
SCHEMBL9726282 0.88 SLC6A3 (0.51) MAPTKMT2ASLC6A3POLBTDP1
SCHEMBL9726276 0.84 SMN1; SMN2 (0.48) MAPTKMT2ASMN1; SMN2ESR1ESR2
SCHEMBL5815925 0.83 KMT2A (0.58) MAPTKMT2ASMN1; SMN2SLC6A3ESR1
SCHEMBL38811 0.83 KMT2A (0.58) MAPTKMT2ASMN1; SMN2SLC6A3ESR1
SCHEMBL31098906 0.83 KMT2A (0.58) MAPTKMT2ASMN1; SMN2SLC6A3ESR1
SCHEMBL9726303 0.82 LMNA (0.54) MAPTKMT2ASMN1; SMN2ESR1MEN1
SCHEMBL27791528 0.81 MAPT (0.56) MAPTKMT2ASMN1; SMN2SLC6A3ESR1
SCHEMBL11242849 0.81 KMT2A (0.56) MAPTKMT2ASMN1; SMN2SLC6A3ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108430586-B Hydrogen peroxide booster system for enhanced tooth whitening 高露洁-棕榄公司 2021-07-23 CN claimed
US-10829723-B2 Devices for removing oxidizable stains and methods for the same Henkel IP & Holding GmbH (DE) 2020-11-10 US claimed
US-20200297594-A1 Hydrogen Peroxide Booster System for Enhanced Teeth Whitening COLGATE-PALMOLIVE COMPANY (US) 2020-09-24 US claimed
US-20180369087-A1 Hydrogen Peroxide Booster System for Enhanced Teeth Whitening COLGATE-PALMOLIVE COMPANY (US) 2018-12-27 US claimed
EP-3383503-A1 HYDROGEN PEROXIDE BOOSTER SYSTEM FOR ENHANCED TEETH WHITENING Colgate-Palmolive Company (US) 2018-10-10 EP claimed
WO-2017105455-A1 HYDROGEN PEROXIDE BOOSTER SYSTEM FOR ENHANCED TEETH WHITENING COLGATE-PALMOLIVE COMPANY (US) 2017-06-22 WO claimed
US-8431519-B2 Co-granulates of bleach activator-peroxide compounds OCI CHEMICAL CORP. (US) 2013-04-30 US claimed
US-20100207062-A1 CO-GRANULATES OF BLEACH ACTIVATOR-PEROXIDE COMPOUNDS OCI CHEMICAL CORPORATION (US) 2010-08-19 US claimed
US-7709437-B2 Co-granulates of bleach activator-peroxide compounds OCI CHEMICAL CORP. (US) 2010-05-04 US claimed
EP-2021454-A1 CO-GRANULATES OF BLEACH ACTIVATOR-PEROXIDE COMPOUNDS OCI Chemical Corporation (US) 2009-02-11 EP claimed
WO-1995013353-A1 ACTIVATION OF BLEACH PRECURSORS WITH IMINE QUATERNARY SALTS UNILEVER N.V. (NL) 1995-05-18 WO claimed
US-5360569-A Peroxygen bleaches with oxygen transfer agent of isoquinolium compound and forming percarboxylic, percarbonic acid or perimidic acid LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1994-11-01 US claimed
EP-0341947-B1 Enzymatic detergent and bleaching composition UNILEVER PLC (GB) 1994-08-31 EP claimed
WO-1994010284-A1 GRANULAR DETERGENTS WITH PROTEASE ENZYME AND BLEACH THE PROCTER & GAMBLE COMPANY (US) 1994-05-11 WO claimed
US-5202045-A S-shaped detergent laminate LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1993-04-13 US claimed
US-5055217-A Mixture of bleach precursor, binder and sugar; high cleaning performance against stains LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1991-10-08 US claimed
US-5047163-A Low Temperature Bleaching Composition Containing A Peroxygen Compound, A Sulfonimine Oxygen Transfer Agent Activator And A! Bleach Percursor LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1991-09-10 US claimed
US-5030380-A Bleaching LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1991-07-09 US claimed
EP-0405628-A2 Polymeric electrolyte-hydrogen peroxide adducts UNILEVER N.V. (NL) 1991-01-02 EP claimed
US-4927559-A SODIUM PERBORATE, SODIUM BENZOYLOXYBENZENE SULFONATE LEVER BROTHERS COMPANY (US) 1990-05-22 US claimed

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

For each of this compound's patents that has machine-readable text (2 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-20200297594-A1 Hydrogen Peroxide Booster System for Enhanced Teeth Whitening GPX4, GPX1, PRDX3 ESR2 1936/4885MAPT 2625/4885KMT2A 812/4885
US-20180369087-A1 Hydrogen Peroxide Booster System for Enhanced Teeth Whitening CAT, GPX4, LPO ESR2 1770/4885MAPT 2478/4885KMT2A 1750/4885

“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.