SCHEMBL218311

SCHEMBL218311

CC(=O)Oc1ccccc1S(=O)(=O)[O-].[Na+]

nearest known ligand 0.49

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
PTGS2 known ✓ P35354 8/20 0.49
PTGS1 known ✓ P23219 1/20 0.49
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 2/20 0.49
BLM P54132 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
ESR1 P03372 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
HMGB1 P09429 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
GGT1 P19440 1/20 0.49
NAPRT Q6XQN6 1/20 0.49
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
PGAM1 P18669 1/20 0.43
POLB P06746 2/20 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
SCHEMBL30659810 1.00 PTGS2 (0.49) PTGS2KDM4EHSD17B10ALDH1A1BLM
Potassium Ion SCHEMBL5180749 0.96 PTGS2 (0.49) PTGS2KDM4EHSD17B10ALDH1A1BLM
SCHEMBL11759898 0.85 ELANE (0.43) PTGS2KDM4EHSD17B10ALDH1A1BLM
SCHEMBL6535328 0.81 PTGS2 (0.52) PTGS2KDM4EHSD17B10ALDH1A1BLM
SCHEMBL3018679 0.81 PTGS2 (0.52) PTGS2KDM4EHSD17B10ALDH1A1BLM
SCHEMBL29753992 0.81 PTGS2 (0.52) PTGS2KDM4EHSD17B10ALDH1A1BLM
SCHEMBL8380237 0.80 PTGS2 (0.50) PTGS2KDM4EHSD17B10ALDH1A1BLM
SCHEMBL11043927 0.80 PTGS2 (0.50) PTGS2KDM4EHSD17B10ALDH1A1BLM
SCHEMBL8380233 0.80 PTGS2 (0.50) PTGS2KDM4EHSD17B10ALDH1A1BLM
SCHEMBL14655863 0.80 PTGS2 (0.50) PTGS2KDM4EHSD17B10ALDH1A1BLM

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 1218 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777061-A Epoxy functionalized lithium sulfonyl imide and preparation method and application thereof 上海交通大学绍兴新能源与分子工程研究院 2024-03-29 CN claimed
EP-3383503-B1 HYDROGEN PEROXIDE BOOSTER SYSTEM FOR ENHANCED TEETH WHITENING COLGATE PALMOLIVE CO (US) 2022-07-27 EP claimed
CN-108430586-B Hydrogen peroxide booster system for enhanced tooth whitening 高露洁-棕榄公司 2021-07-23 CN claimed
US-20200297594-A1 Hydrogen Peroxide Booster System for Enhanced Teeth Whitening COLGATE-PALMOLIVE COMPANY (US) 2020-09-24 US claimed
EP-3383243-B1 PORTABLE STAIN REMOVAL KIT KONINKLIJKE PHILIPS NV (NL) 2019-10-23 EP 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-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-0446982-B1 Low-temperature bleaching compositions UNILEVER NV (NL) 1994-10-26 EP claimed
EP-0341947-B1 Enzymatic detergent and bleaching composition UNILEVER PLC (GB) 1994-08-31 EP claimed
EP-0456032-A1 Process for bleaching pulps HOECHST JAPAN LIMITED (JP) 1991-11-13 EP claimed
EP-0446982-A2 Low-temperature bleaching compositions UNILEVER N.V. (NL) 1991-09-18 EP 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
EP-0271152-B1 ENZYMATIC DETERGENT AND BLEACHING COMPOSITION UNILEVER N.V. (NL) 1990-07-18 EP claimed
EP-0147191-B1 PERFUME AND COMPOSITIONS CONTAINING PERFUME UNILEVER N.V. (NL) 1989-10-04 EP claimed
EP-0072098-B1 BLEACH COMPOSITION UNILEVER N.V. (NL) 1985-03-20 EP claimed
US-4008167-A SODIUM PERCARBONATE KAO SOAP CO., LTD. (JA) 1977-02-15 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 PTGS2 724/4885PTGS1 1115/4885KDM4E 3121/4885
US-20180369087-A1 Hydrogen Peroxide Booster System for Enhanced Teeth Whitening CAT, GPX4, LPO PTGS2 1896/4885PTGS1 2165/4885KDM4E 3779/4885

“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.