SCHEMBL249876

SCHEMBL249876

O=S(=O)([O-])c1cc(S(=O)(=O)c2ccc(F)c(S(=O)(=O)[O-])c2)ccc1F.[Na+].[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
PTGS1 known ✓ P23219 1/20 0.34
CA12 known ✓ O43570 1/20 0.34
CA1 known ✓ P00915 1/20 0.34
CA2 known ✓ P00918 1/20 0.34
CA4 known ✓ P22748 1/20 0.34
VCAM1 P19320 1/20 0.48
MAPK1 P28482 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
DUSP5 Q16690 2/20 0.38
PKM P14618 2/20 0.38
HTR2C P28335 4/20 0.37
HTR2B P41595 2/20 0.37
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAD51 Q06609 3/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL29882904 1.00 VCAM1 (0.48) VCAM1MAPK1POLBTSHRALDH1A1
Potassium Ion SCHEMBL756813 0.96 VCAM1 (0.48) VCAM1MAPK1POLBTSHRALDH1A1
SCHEMBL3935273 0.81 PKM (0.50) POLBPKMTDP1PTGS1CA6
SCHEMBL249875 0.79 VCAM1 (0.48) VCAM1MAPK1POLBTSHRALDH1A1
SCHEMBL6007987 0.79 VCAM1 (0.48) VCAM1MAPK1POLBTSHRALDH1A1
SCHEMBL7623197 0.79 VCAM1 (0.48) VCAM1MAPK1POLBTSHRALDH1A1
SCHEMBL14401895 0.79 VCAM1 (0.48) VCAM1MAPK1POLBTSHRALDH1A1
SCHEMBL30475007 0.79 VCAM1 (0.48) VCAM1MAPK1POLBTSHRALDH1A1
SCHEMBL25203443 0.78 VCAM1 (0.47) VCAM1MAPK1POLBTSHRALDH1A1
SCHEMBL28707093 0.78 VCAM1 (0.47) VCAM1MAPK1POLBTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2816069-B1 SULFONATED POLYETHERSULFONE COPOLYMER CONTAINING HYDROXYL GROUPS AND PREPARATION METHOD THEREOF, POLYMER ELECTROLYTE MEMBRANE FOR FUEL CELLS AND MEMBRANE ELECTRODE ASSEMBLY COMPRISING THE SAME KOREA INST SCI & TECH (KR) 2017-03-29 EP claimed
EP-2816069-A1 Sulfonated polyethersulfone copolymer containing hydroxyl groups and preparation method thereof, polymer electrolyte membrane for fuel cells and membrane electrode assembly comprising the same Korea Institute of Science and Technology (KR) 2014-12-24 EP claimed
US-20140329169-A1 SULFONATED POLYETHERSULFONE COPOLYMER CONTAINING HYDROXYL GROUPS AND PREPARATION METHOD THEREOF, POLYMER ELECTROLYTE MEMBRANE FOR FUEL CELLS AND MEMBRANE ELECTRODE ASSEMBLY COMPRISING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-11-06 US claimed
US-9722270-B2 Polymer, electrolyte membrane and electrode for a fuel cell, each including the polymer, fuel cell including at least one of the electrolyte membrane, and the electrode SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-08-01 US disclosed
EP-2816069-B1 SULFONATED POLYETHERSULFONE COPOLYMER CONTAINING HYDROXYL GROUPS AND PREPARATION METHOD THEREOF, POLYMER ELECTROLYTE MEMBRANE FOR FUEL CELLS AND MEMBRANE ELECTRODE ASSEMBLY COMPRISING THE SAME KOREA INST SCI & TECH (KR) 2017-03-29 EP disclosed
US-9005843-B2 Polymer electrolyte composition UBE INDUSTRIES, LTD. (JP) 2015-04-14 US disclosed
US-20150037708-A1 POLYMER, ELECTROLYTE MEMBRANE AND ELECTRODE FOR A FUEL CELL, EACH INCLUDING THE POLYMER, FUEL CELL INCLUDING AT LEAST ONE OF THE ELECTROLYTE MEMBRANE, AND THE ELECTRODE SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-02-05 US disclosed
EP-2816069-A1 Sulfonated polyethersulfone copolymer containing hydroxyl groups and preparation method thereof, polymer electrolyte membrane for fuel cells and membrane electrode assembly comprising the same Korea Institute of Science and Technology (KR) 2014-12-24 EP disclosed
US-20140329169-A1 SULFONATED POLYETHERSULFONE COPOLYMER CONTAINING HYDROXYL GROUPS AND PREPARATION METHOD THEREOF, POLYMER ELECTROLYTE MEMBRANE FOR FUEL CELLS AND MEMBRANE ELECTRODE ASSEMBLY COMPRISING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-11-06 US disclosed
US-8771897-B2 Electrolyte membrane for fuel cell including blend of polymers with different degrees of sulfonation, and membrane-electrode assembly and fuel cell including the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-07-08 US disclosed
US-8710176-B2 Method for producing a sulfonated polyarylether block copolymer UBE INDUSTRIES, LTD. (JP) 2014-04-29 US disclosed
US-7638220-B2 Polymeric laminates, processes for producing the same, and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-12-29 US disclosed
US-20090075147-A1 Sulfonic acid group-containing polymer, method for producing the same, resin composition containing such sulfonic acid group-containing polymer, polymer electrolyte membrane, polymer electrolyte membrane/electrode assembly, and fuel cell TOYO BOSEKI KABUSHIKI KAISHA (JP) 2009-03-19 US disclosed
US-20080171252-A1 Novel Polymer Electrolyte, Polymer Electrolyte Composition, Electrolyte Membrane, and Production Method and Use Thereof UBE INDUSTRIES, LTD. (JP) 2008-07-17 US disclosed
EP-1889863-A1 SULFONIC ACID GROUP-CONTAINING POLYMER, METHOD FOR PRODUCING SAME, RESIN COMPOSITION CONTAINING SUCH SULFONIC ACID GROUP-CONTAINING POLYMER, POLYMER ELECTROLYTE MEMBRANE, POLYMER ELECTROLYTE MEMBRANE/ELECTRODE ASSEMBLY, AND FUEL CELL Toyo Boseki Kabushiki Kasisha (JP) 2008-02-20 EP disclosed
EP-1855339-A1 NOVEL POLYMER ELECTROLYTE, POLYMER ELECTROLYTE COMPOSITION, ELECTROLYTE MEMBRANE, AND PRODUCTION METHOD AND USE THEREOF Ube Industries, Ltd. (JP) 2007-11-14 EP disclosed
US-20060166047-A1 Polymeric laminates, processes for producing the same, and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-07-27 US disclosed
EP-1519435-A1 POLYMERIC LAMINATES, PROCESSES FOR PRODUCING THE SAME, AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-03-30 EP disclosed
US-6451921-B2 Block copolymers with sulfonated polyether sulfone units MEMBRANA GMBH (DE) 2002-09-17 US disclosed
US-20010021764-A1 Block copolymers with sulfonated polyether sulfone units MEMBRANA GMBH (DE) 2001-09-13 US disclosed