SCHEMBL3224857

SCHEMBL3224857

Cc1cc(C(=O)[O-])c(S(=O)(=O)O)c(C(=O)[O-])c1C.[Na+].[Na+]

nearest known ligand 0.32

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 16)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.32
CA2 known ✓ P00918 1/20 0.32
CA4 known ✓ P22748 1/20 0.32
FABP4 P15090 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
CRHBP P24387 1/20 0.31
KMT2A Q03164 1/20 0.31
CRHR2 Q13324 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
DHODH Q02127 1/20 0.30
PHLPP2 Q6ZVD8 1/20 0.30

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
Potassium Ion SCHEMBL9246632 0.97 FABP4 (0.31) FABP4ALDH1A1KDM4EMEN1HPGD
Lithium Ion SCHEMBL758180 0.97 FABP4 (0.31) FABP4ALDH1A1KDM4EMEN1HPGD
SCHEMBL11436441 0.87 LMNA (0.34) CA1CA2CA4ALDH1A1KDM4E
SCHEMBL3341069 0.87 CA1 (0.32) CA1CA2CA4ALDH1A1LMNA
SCHEMBL3442546 0.77 CA1 (0.38) CA1CA2FABP4ALDH1A1KDM4E
SCHEMBL985182 0.76 KDM4E (0.41) FABP4ALDH1A1KDM4EMEN1HPGD
SCHEMBL3912717 0.75 KDM4E (0.40) FABP4ALDH1A1KDM4EMEN1HPGD
SCHEMBL9246637 0.75 KDM4E (0.40) FABP4ALDH1A1KDM4EMEN1HPGD
SCHEMBL758181 0.75 KDM4E (0.40) FABP4ALDH1A1KDM4EMEN1HPGD
SCHEMBL9403857 0.72 CA1 (0.33) CA1CA2CA4ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368404-A1 SULFOISOPHTHALIC ACID SOLUTION AND PROCESS THEREWITH E. I. du Pont de Nemours and Company (US) 2003-12-10 EP claimed
US-20020169273-A1 Sulfoisophthalic acid solution and process therewith E. I. DU PONT DE NEMOURS AND COMPANY 2002-11-14 US claimed
US-6479619-B1 PRODUCING A PARTIALLY ESTERIFIED ALKALI METAL SULFOISOPHTHALIC ACID IN A GLYCOL; CAN BE MADE IMMEDIATELY PRIOR TO USE; COPOLYMERIZING WITH TEREPHTHALIC ACID AND A GLYCOL TO FORM A POLYESTER E. I. DU PONT DE NEMOURS AND COMPANY 2002-11-12 US claimed
WO-2002074834-A1 SULFOISOPHTHALIC ACID SOLUTION AND PROCESS THEREWITH E. I. DU PONT DE NEMOURS AND COMPANY (US) 2002-09-26 WO claimed
EP-0547106-B1 IMPROVED SOIL RELEASE AGENTS FOR GRANULAR LAUNDRY DETERGENTS PROCTER & GAMBLE (US) 1995-12-27 EP claimed
US-4104262-A LACQUER BINDING AGENTS DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1978-08-01 US claimed
JP-4114020-A None JP disclosed
CN-115746176-A Single ion polymer, preparation method and application thereof 蓝京新能源(嘉兴)有限公司 2023-03-07 CN disclosed
CN-115536822-A Dacron reduction-free cleaning agent and preparation method thereof 中山市好本意新材料有限公司 2022-12-30 CN disclosed
CN-111417881-B Delay device 3M创新有限公司 2022-06-28 CN disclosed
US-20200399823-A1 METHOD OF MANUFACTURING ANTI-SOILING CARPET, AND ANTI-SOILING CARPET NICCA U.S.A., INC. 2020-12-24 US disclosed
CN-111417881-A Delay device 3M创新有限公司 2020-07-14 CN disclosed
US-8399168-B2 Method for producing toner, two-component developer, developing device and image forming apparatus SHARP KABUSHIKI KAISHA (JP) 2013-03-19 US disclosed
EP-0105016-A1 Polyisophthalate and copolymers thereof having reduced cyclic dimer content, and a process for making the same THE GOODYEAR TIRE & RUBBER COMPANY (US) 1984-04-04 EP disclosed
US-4427557-A POLYESTERETHER FROM ETHYLENE GLYCOL, POLYOXYETHYLENE GLYCOL, ARYLDICARBOXY ACID, AND SULFOARYLDICARBOXY/ ACID ICI AMERICAS INC. (US) 1984-01-24 US disclosed
US-4424337-A Polyisophthalate and copolymers thereof having reduced cyclic dimer content, and a process for making the same THE GOODYEAR TIRE & RUBBER COMPANY (US) 1984-01-03 US disclosed
EP-0066944-A1 Anionic textile treating composition ICI AMERICAS INC. (US) 1982-12-15 EP disclosed
US-4150946-A ABRASION RESISTANT TEXTILES RHONE-POULENC INDUSTRIES (FR) 1979-04-24 US disclosed
US-4110284-A Polyurethane latexes from sulfonate prepolymer, aqueous chain extension process, and coated support RHONE-PROGIL (FR) 1978-08-29 US disclosed
US-4104262-A LACQUER BINDING AGENTS DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1978-08-01 US disclosed