SCHEMBL38454

SCHEMBL38454

COC(=O)c1cccc(S(=O)(=O)[O-])c1.[Na+]

nearest known ligand 0.57

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
CA12 known ✓ O43570 1/20 0.56
CA1 known ✓ P00915 1/20 0.56
CA2 known ✓ P00918 1/20 0.56
PTGS2 known ✓ P35354 1/20 0.46
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
KMT2A Q03164 2/20 0.57
CA9 Q16790 1/20 0.56
POLB P06746 1/20 0.54
TCF4 P15884 2/20 0.54
CTNNB1 P35222 2/20 0.54
LOX P28300 1/20 0.51
SLC40A1 Q9NP59 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
TSHR P16473 1/20 0.48
ACLY P53396 2/20 0.48
CTSG P08311 1/20 0.48
CMA1 P23946 1/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL20791898 0.90 TSHR (0.55) ALDH1A1KDM4EKMT2ACA12CA1
Tetraphenylphosphonium SCHEMBL3942403 0.87 KMT2A (0.49) ALDH1A1KDM4EKMT2ACA12CA1
SCHEMBL28682355 0.86 CA1 (0.50) ALDH1A1KDM4EKMT2ACA12CA1
Sulfuric Acid SCHEMBL11211295 0.86 POLB (0.60) ALDH1A1KDM4EKMT2ACA12CA1
SCHEMBL2884607 0.84 LOX (0.66) ALDH1A1KDM4EKMT2ACA12CA1
SCHEMBL3944685 0.84 KDM4E (0.46) ALDH1A1KDM4EKMT2ACA12CA1
SCHEMBL3293304 0.83 POLB (0.57) ALDH1A1KDM4EKMT2ACA12CA1
SCHEMBL1100084 0.83 ALDH1A1 (0.59) ALDH1A1KDM4EKMT2ACA12CA1
SCHEMBL2651155 0.83 POLB (0.61) ALDH1A1KDM4EKMT2ACA12CA1
SCHEMBL9008002 0.83 ALDH1A1 (0.59) ALDH1A1KDM4EKMT2ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448997-B1 MODIFIED POLYAMIDE COMPOSITION RHODIA OPERATIONS (FR) 2018-10-03 EP claimed
EP-2576658-B1 SULFONATE-MODIFIED POLYAMIDE HAVING IMPROVED BARRIER PROPERTIES RHODIA OPERATIONS S A (FR) 2018-07-11 EP claimed
US-9732222-B2 Modified polyamide composition RHODIA OPERATIONS (FR) 2017-08-15 US claimed
US-20130150524-A1 SULFONATE-MODIFIED POLYAMIDE HAVING IMPROVED BARRIER PROPERTIES RHODIA OPERATIONS (FR) 2013-06-13 US claimed
EP-2576658-A1 SULFONATE-MODIFIED POLYAMIDE HAVING IMPROVED BARRIER PROPERTIES Rhodia Operations S.A. (FR) 2013-04-10 EP claimed
US-20120172521-A1 MODIFIED POLYAMIDE COMPOSITION RHODIA OPERATIONS (FR) 2012-07-05 US claimed
EP-2448997-A1 MODIFIED POLYAMIDE COMPOSITION Rhodia Opérations (FR) 2012-05-09 EP claimed
WO-2011147739-A1 SULFONATE-MODIFIED POLYAMIDE HAVING IMPROVED BARRIER PROPERTIES RHODIA OPERATIONS (FR) 2011-12-01 WO claimed
WO-2011000763-A1 MODIFIED POLYAMIDE COMPOSITION RHODIA OPERATIONS (FR) 2011-01-06 WO claimed
CN-117229257-A Meta-sulfamoyl benzamide compound and preparation method, pharmaceutical composition and application thereof 中国药科大学 2023-12-15 CN disclosed
CN-111607076-A Antistatic polyester composition, preparation method thereof and polyester film 东丽纤维研究所(中国)有限公司 2020-09-01 CN disclosed
EP-2448997-B1 MODIFIED POLYAMIDE COMPOSITION RHODIA OPERATIONS (FR) 2018-10-03 EP disclosed
EP-2576658-B1 SULFONATE-MODIFIED POLYAMIDE HAVING IMPROVED BARRIER PROPERTIES RHODIA OPERATIONS S A (FR) 2018-07-11 EP disclosed
EP-2448998-B1 MODIFIED POLYAMIDE, PREPARATION METHOD THEREOF AND ARTICLE OBTAINED FROM SAID POLYAMIDE RHODIA OPERATIONS (FR) 2018-04-25 EP disclosed
WO-2011000764-A1 MODIFIED POLYAMIDE, PREPARATION METHOD THEREOF AND ARTICLE OBTAINED FROM SAID POLYAMIDE RHODIA OPERATIONS (FR) 2011-01-06 WO disclosed
WO-2011000763-A1 MODIFIED POLYAMIDE COMPOSITION RHODIA OPERATIONS (FR) 2011-01-06 WO disclosed
US-5488123-A SULFONATED; TEXTILE FINISHING; ANTISOILANTS, ANTISTATIC AGENTS CASSELLA AG (DE) 1996-01-30 US disclosed
WO-1993007198-A1 SULFONATED POLYESTERS AND THEIR USE IN COMPOSTABLE PRODUCTS SUCH AS DISPOSABLE DIAPERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-04-15 WO disclosed
US-5171308-A Polyethylene terephthalate copolymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-12-15 US disclosed
EP-0023664-B1 PROCESS FOR PRODUCING THE SAME OF HOLLOW WATER-ABSORBING POLYESTER FILAMENTS TEIJIN LIMITED (JP) 1985-12-04 EP disclosed