SCHEMBL672765

SCHEMBL672765

O=C(O)c1cc(C(=O)O)cc(S(=O)(=O)[O-])c1.[Na+]

nearest known ligand 0.61

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 4/20 0.43
CA1 known ✓ P00915 4/20 0.43
CA2 known ✓ P00918 4/20 0.43
CA4 known ✓ P22748 1/20 0.39
LCK P06239 1/20 0.61
FYN P06241 1/20 0.61
CYP1A2 P05177 1/20 0.53
PTPN1 P18031 2/20 0.45
DUSP5 Q16690 2/20 0.45
DUSP6 Q16828 1/20 0.45
CA9 Q16790 4/20 0.43
CA14 Q9ULX7 4/20 0.43
CA7 P43166 3/20 0.43
CA3 P07451 2/20 0.43
CA6 P23280 2/20 0.43
CA5A P35218 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
CYP2C19 P33261 1/20 0.43
WDR5 P61964 1/20 0.43
ALDH1A1 P00352 2/20 0.39

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
Lithium Ion SCHEMBL673021 0.95 LCK (0.61) LCKFYNCYP1A2PTPN1DUSP5
Potassium Ion SCHEMBL2934424 0.95 LCK (0.61) LCKFYNCYP1A2PTPN1DUSP5
SCHEMBL10597407 0.95 LCK (0.56) LCKFYNCYP1A2PTPN1DUSP5
SCHEMBL9574902 0.92 LCK (0.53) LCKFYNCYP1A2PTPN1DUSP5
SCHEMBL1722551 0.90 LCK (0.55) LCKFYNCYP1A2PTPN1DUSP5
SCHEMBL260682 0.82 DUSP5 (0.45) LCKFYNCYP1A2PTPN1DUSP5
Tetraphenylphosphonium SCHEMBL3945860 0.82 LCK (0.47) LCKFYNCYP1A2CA12CA1
SCHEMBL7197052 0.82 CYP2C9 (0.53) LCKFYNCA12CA1CA2
SCHEMBL39401 0.79 F2 (0.56) CA12CA1CA2CA9CA6
SCHEMBL30479405 0.79 F2 (0.56) CA12CA1CA2CA9CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4735527-A1 POLYCARBONATE COMPOSITION Covestro Deutschland AG (DE) 2026-05-06 EP claimed
US-20250179095-A1 SULFONIC ACID-FUNCTIONALIZED COPPER METAL-ORGANIC FRAMEWORK AND PREPARATION METHOD AND USE THEREOF NANCHANG HANGKONG UNIVERSITY (CN) 2025-06-05 US claimed
US-12258485-B2 Acrylic polyester resin and an aqueous or powder coating composition containing the same PPG INDUSTRIES OHIO, INC. (US) 2025-03-25 US claimed
WO-2025003257-A1 POLYCARBONATE COMPOSITION COVESTRO DEUTSCHLAND AG (DE) 2025-01-02 WO claimed
US-12018110-B2 Acrylic polyester resin and an aqueous coating composition containing the same PPG INDUSTRIES OHIO, INC. (US) 2024-06-25 US claimed
CN-115678377-B Acrylic polyester resin and aqueous coating composition containing same PPG工业俄亥俄公司 2024-05-28 CN claimed
US-11912820-B2 Cyclic ether- and hydroxyl-containing compositions useful for producing fast dry alkyd polymers and methods for making such cyclic ether- and hydroxyl-containing compositions ARKEMA INC. (US) 2024-02-27 US claimed
CN-115504955-B Synthetic method of fluoroethylene carbonate 江西普瑞森新能源科技有限公司 2023-12-01 CN claimed
US-11814477-B2 Alkyd polymer compositions and product formulations formed therefrom ARKEMA INC. (US) 2023-11-14 US claimed
US-20230348752-A1 A WATER-SOLUBLE CO-POLYESTER POLYMER; A PROCESS OF SYNTHESIS AND A COATING COMPOSITION THEREOF MAIKAP AKSHAY NARAYAN (IN) 2023-11-02 US claimed
EP-1194469-A1 POLYESTER RESIN INTERMEDIATE COMPOSITIONS AND PREPARATION AND USES THEREOF EASTMAN CHEMICAL COMPANY (US) 2002-04-10 EP claimed
EP-1149124-A1 STABLE AQUEOUS POLYMER DISPERSIONS AND A PROCESS FOR THEIR PREPARATION McWHORTER TECHNOLOGIES, Inc. (US) 2001-10-31 EP claimed
WO-2001000703-A1 POLYESTER RESIN INTERMEDIATE COMPOSITIONS AND PREPARATION AND USES THEREOF EASTMAN CHEMICAL COMPANY (US) 2001-01-04 WO claimed
WO-2000018828-A1 STABLE AQUEOUS POLYMER DISPERSIONS AND A PROCESS FOR THEIR PREPARATION MCWHORTER TECHNOLOGIES, INC. (US) 2000-04-06 WO claimed
EP-0883496-B1 INK-JET PRINTING FILMS TORAY PLASTICS EUROP SA (FR) 1999-10-27 EP claimed
US-5756635-A DRAWING FIBERS FROM SOLVENTS, REMOVAL AND DRYING RHONE-POULENC FIBRES (FR) 1998-05-26 US claimed
EP-0605603-B1 WATER-DISPERSIBLE POLYESTER RESINS AND PROCESS FOR THEIR PREPARATION EASTMAN CHEM CO (US) 1996-02-28 EP claimed
US-5389068-A Water dispersable, compostable, dimensional stability, and nonsticky; blend of polyester having alkali sulfonate salt; polycaprolactone and/or linear low density polyethylene KIMBERLY-CLARK CORPORATION (US) 1995-02-14 US claimed
EP-0585906-A2 Tampon applicator made of water dispersible polyester KIMBERLY-CLARK CORPORATION (US) 1994-03-09 EP claimed
US-5118778-A From aromatic diisocyanate, trimellitic anhydride, and aromatic diacid in presence of dimethylalkyleneurea RHONE POULENC FIBRES (FR) 1992-06-02 US claimed