SCHEMBL448024

SCHEMBL448024

O=C([O-])c1cccc(C(=O)OS(=O)(=O)O)c1.[Na+]

nearest known ligand 0.44

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 18)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 9/20 0.44
CA4 known ✓ P22748 1/20 0.44
CA1 known ✓ P00915 8/20 0.37
CA12 known ✓ O43570 1/20 0.37
POLB P06746 1/20 0.37
CA9 Q16790 1/20 0.37
USP2 O75604 1/20 0.36
TCF4 P15884 2/20 0.35
CTNNB1 P35222 2/20 0.35
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGER1 P34995 1/20 0.34
STS P08842 1/20 0.33
PARP1 P09874 1/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33

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 SCHEMBL756014 0.97 CA2 (0.39) CA2CA4POLBCA1CA12
Zinc Ion SCHEMBL28885471 0.97 CA2 (0.39) CA2CA4POLBCA1CA12
SCHEMBL28372302 0.97 CA2 (0.39) CA2CA4POLBCA1CA12
SCHEMBL1683498 0.97 CA2 (0.39) CA2CA4POLBCA1CA12
SCHEMBL6679381 0.89 POLB (0.43) CA2POLBCA1CA12CA9
Terephthalic Acid SCHEMBL27293405 0.83 CA2 (0.59) CA2CA4CA1TDP1
SCHEMBL9440690 0.82 LTB4R (0.39)
SCHEMBL1269299 0.82 CA1 (0.47) CA2CA1CA12CA9
SCHEMBL28343095 0.82 CA2 (0.40) CA2CA4POLBCA1CA12
SCHEMBL10448062 0.82 CA2 (0.48) CA2CA4CA1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240002118-A1 FIBROUS CONTAINERS FOR OVENABLE PRODUCTS DUPONT TEIJIN FILMS U.S. LIMITED PARTNERSHIP (US) 2024-01-04 US claimed
EP-4217194-A1 FIBROUS CONTAINERS FOR OVENABLE PRODUCTS Dupont Teijin Films U.S. Limited Partnership (US) 2023-08-02 EP claimed
WO-2022064189-A1 FIBROUS CONTAINERS FOR OVENABLE PRODUCTS DUPONT TEIJIN FILMS U.S. LIMITED PARTNERSHIP (US) 2022-03-31 WO claimed
EP-0364331-A2 Water-dissipatable polyester resins and coatings prepared therefrom EASTMAN CHEMICAL COMPANY (US) 1990-04-18 EP claimed
JP-3064561-A None JP disclosed
EP-4675778-A1 STAINLESS STEEL POUCH FILM FOR SECONDARY BATTERY SBTL Advanced Materials Co. Ltd. (KR) 2026-01-07 EP disclosed
US-20250276842-A1 THERMOFORMABLE COPOLYESTER LAMINATE MYLAR SPECIALTY FILMS U.S. LIMITED PARTNERSHIP (US) 2025-09-04 US disclosed
US-12234078-B2 Thermoformable copolyester laminate MYLAR SPECIALTY FILMS U.S. LIMITED PARTNERSHIP (US) 2025-02-25 US disclosed
EP-3970942-B1 COMPOSITE MOLDED ARTICLE TORAY INDUSTRIES (JP) 2024-03-27 EP disclosed
EP-3604482-B1 FLAME RETARDANT COMPOSITION AND FLAME-RETARDANT SYNTHETIC RESIN COMPOSITION CONTAINING SAME ADEKA CORP (JP) 2024-03-20 EP disclosed
US-20240002118-A1 FIBROUS CONTAINERS FOR OVENABLE PRODUCTS DUPONT TEIJIN FILMS U.S. LIMITED PARTNERSHIP (US) 2024-01-04 US disclosed
EP-1943310-B2 IMPROVED DISPERSIONS OF HIGH CARBOXYL POLYAMIDES INTO POLYESTERS USING AN INTERFACIAL TENSION REDUCING AGENT APG POLYTECH LLC (US) 2023-08-23 EP disclosed
EP-1165692-A1 POLYESTER MOLDING COMPOSITION GENERAL ELECTRIC COMPANY (US) 2002-01-02 EP disclosed
US-6177065-B1 MIXING AQUEOUS NAIL ENAMELS, KNEADING WITH HEATING AND ADDING PIGMENTS TAISEI CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-23 US disclosed
WO-2000049089-A1 POLYESTER MOLDING COMPOSITION GENERAL ELECTRIC COMPANY (US) 2000-08-24 WO disclosed
US-5922519-A DESILVERIZING PHOTOSENSITIVE SILVER HALIDE MATERIAL HAVING MAGNETIC RECORDING LAYER USING FIXING BATH CONTAINING THIOUREA COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1999-07-13 US disclosed
US-5834561-A BLEND, HEAT RESISTANCE, IMPACT STRENGTH, MOLDABILITY, GLOSS; FOR HOUSINGS OF OPTICAL AND MAGNETIC RECORDING MEDIA; PREVENT LAYER EXFOLIATION AND MOLD CORROSION TORAY INDUSTRIES, INC. (JP) 1998-11-10 US disclosed
US-5631124-A HEAT FIXING POLYESTERS ON SUPPORTS FOR LIGHT SENSITIVE ELEMENTS FUJI PHOTO FILM CO., LTD. (JP) 1997-05-20 US disclosed
JP-H0364561-A POLYESTER NON-WOVEN FABRIC TORAY IND INC 1991-03-19 JP disclosed
EP-0128741-B1 ARTIFICIAL VASCULAR GRAFT TORAY INDUSTRIES, INC. (JP) 1987-09-02 EP disclosed