SCHEMBL295169

SCHEMBL295169

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

nearest known ligand 0.77

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
CA2 known ✓ P00918 5/20 0.39
CA4 known ✓ P22748 1/20 0.39
CA1 known ✓ P00915 4/20 0.38
CA12 known ✓ O43570 3/20 0.38
LCK P06239 1/20 0.77
FYN P06241 1/20 0.77
CYP1A2 P05177 1/20 0.47
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
WDR5 P61964 1/20 0.39
ING2 Q9H160 1/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
CA7 P43166 2/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CYP2C19 P33261 1/20 0.38
CA5A P35218 1/20 0.38

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
SCHEMBL30723107 1.00 LCK (0.77) LCKFYNCYP1A2ALDH1A1KDM4E
SCHEMBL5697530 0.96 LCK (0.77) LCKFYNCYP1A2ALDH1A1KDM4E
Lithium Ion SCHEMBL5698384 0.96 LCK (0.77) LCKFYNCYP1A2ALDH1A1KDM4E
Potassium Ion SCHEMBL5698373 0.96 LCK (0.77) LCKFYNCYP1A2ALDH1A1KDM4E
Terephthalic Acid SCHEMBL11649154 0.93 LCK (0.66) LCKFYNCYP1A2ALDH1A1KDM4E
Terephthalic Acid SCHEMBL10756360 0.93 LCK (0.71) LCKFYNCYP1A2ALDH1A1KDM4E
SCHEMBL258409 0.92 LCK (0.61) LCKFYNCYP1A2ALDH1A1KDM4E
Glycolic Acid SCHEMBL5267289 0.92 LCK (0.65) LCKFYNCYP1A2ALDH1A1KDM4E
Potassium Ion SCHEMBL28394777 0.90 LCK (0.59) LCKFYNCYP1A2ALDH1A1KDM4E
Lithium Ion SCHEMBL28391984 0.90 LCK (0.59) LCKFYNCYP1A2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4558531-A1 METHOD FOR PRODUCING NYLON Aladdin Manufacturing Corporation (US) 2025-05-28 EP claimed
CN-118894991-A Chromium-based metal organic framework material and application thereof 北京理工大学 2024-11-05 CN claimed
US-20240124678-A1 Full recovery, recycling and regenerative method for fabrics containing polyester fibers XIANDAFENG (SHANGHAI) NEW MATERIALS TECHNOLOGY CO., LTD (CN) 2024-04-18 US claimed
WO-2024018319-A1 METHOD FOR PRODUCING NYLON ALADDIN MANUFACTURING CORPORATION (US) 2024-01-25 WO claimed
WO-2023248071-A1 POLYESTERS C/O AVIENT CORPORATION - IP DEPT (US) 2023-12-28 WO claimed
CN-116903879-A Copper nanoparticle @ metal organic framework material and preparation method thereof 福建理工大学 2023-10-20 CN claimed
CN-110201717-B Preparation method and application of copper-based metal organic polyhedral composite material 南京工业大学 2021-11-23 CN claimed
US-10913820-B2 Process for producing a cationic dyeable polyester and the cationic dyeable polyester produced thereby FAR EASTERN NEW CENTURY CORPORATION (TW) 2021-02-09 US claimed
US-20200031992-A1 PROCESS FOR PRODUCING A CATIONIC DYEABLE POLYESTER AND THE CATIONIC DYEABLE POLYESTER PRODUCED THEREBY FAR EASTERN NEW CENTURY CORPORATION (TW) 2020-01-30 US claimed
EP-2576658-B1 SULFONATE-MODIFIED POLYAMIDE HAVING IMPROVED BARRIER PROPERTIES RHODIA OPERATIONS S A (FR) 2018-07-11 EP claimed
EP-0779903-A4 1997-07-09 EP claimed
EP-0779903-A1 AQUEOUS POLYURETHANE DISPERSION ADHESIVE COMPOSITIONS WITH IMPROVED HEAT RESISTANCE H.B. Fuller Licensing & Financing, Inc. (US) 1997-06-25 EP claimed
US-5637639-A NEUTRALIZATION; CHAIN EXTENSION; CHAIN TERMINATION; EMPLOYING A WATER SOLUBLE VOLATILE ORGANIC SOLVENT WHICH DOES NOT REQUIRE REMOVAL H.B. FULLER LICENSING AND FINANCING, INC. (US) 1997-06-10 US claimed
WO-1997010274-A1 REDUCED SOLVENT PROCESS FOR PREPARATION OF AQUEOUS POLYURETHANE DISPERSIONS WITH IMPROVED HEAT AND SOLVENT RESISTANCE H.B. FULLER LICENSING & FINANCING, INC. (US) 1997-03-20 WO claimed
US-5610232-A COPOLYMERS WITH SULFONATED POLYESTERS, EXTENDED WITH WATER, HEAT RESISTANCE, HIGH STRENGTH ADHESIVES H.B. FULLER LICENSING & FINANCING, INC. (US) 1997-03-11 US claimed
US-5608000-A AMINE CHAIN EXTENDER FOR ANIONIC POLYURETHANES H. B. FULLER LICENSING & FINANCING, INC. (US) 1997-03-04 US claimed
WO-1996040811-A1 AQUEOUS NON-GELLING, ANIONIC POLYURETHANE DISPERSIONS AND PROCESSFOR THEIR MANUFACTURE H.B. FULLER LICENSING & FINANCING, INC. (US) 1996-12-19 WO claimed
WO-1996007540-A1 AQUEOUS POLYURETHANE DISPERSION ADHESIVE COMPOSITIONS WITH IMPROVED HEAT RESISTANCE H.B. FULLER LICENSING AND FINANCING, INC. (US) 1996-03-14 WO claimed
EP-0484819-B1 Primer coating composition and polymeric film coated with primer coating for silicone release applications HOECHST CELANESE CORP (US) 1995-03-29 EP claimed
EP-0323599-B1 POLYESTER FILM WITH A PRIMER COATING FOR METALS AND AN EXCELLENT WINDING-UP RATIO HOECHST CELANESE CORPORATION (US) 1991-08-14 EP claimed