SCHEMBL1940639

SCHEMBL1940639

COC(=O)c1cc(S(=O)(=O)O)cc(C(=O)[O-])c1C.[Na+]

nearest known ligand 0.39

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 4/20 0.38
CA1 known ✓ P00915 1/20 0.34
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HSD17B10 Q99714 3/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
YAP1 P46937 1/20 0.36
KDM4E B2RXH2 3/20 0.36
FBP1 P09467 1/20 0.35
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
MAPT P10636 1/20 0.34

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 SCHEMBL2469323 0.97 ALDH1A1 (0.39) ALDH1A1TSHRFFAR4CA2SMN1; SMN2
SCHEMBL269782 0.84 ALDH1A1 (0.44) ALDH1A1TSHRFFAR4CA2SMN1; SMN2
SCHEMBL4530099 0.83 ALDH1A1 (0.42) ALDH1A1TSHRFFAR4CA2SMN1; SMN2
SCHEMBL5861459 0.75 ALDH1A1 (0.47) ALDH1A1TSHRCA2SMN1; SMN2HSD17B10
SCHEMBL31083420 0.75 ALDH1A1 (0.47) ALDH1A1TSHRCA2SMN1; SMN2HSD17B10
SCHEMBL270431 0.75 ALDH1A1 (0.47) ALDH1A1TSHRCA2SMN1; SMN2HSD17B10
SCHEMBL7781099 0.75 ALDH1A1 (0.40) ALDH1A1TSHRCA2SMN1; SMN2HSD17B10
SCHEMBL27630669 0.75 ALDH1A1 (0.47) ALDH1A1TSHRCA2SMN1; SMN2HSD17B10
SCHEMBL1331221 0.74 LCK (0.47) ALDH1A1CA2SMN1; SMN2LMNAHPGD
SCHEMBL11747597 0.74 ALDH1A1 (0.57) ALDH1A1TSHRCA2HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024094790-A1 POLYESTERS CLARIANT INTERNATIONAL LTD (CH) 2024-05-10 WO claimed
WO-2024094785-A1 POLYESTERS CLARIANT INTERNATIONAL LTD (CH) 2024-05-10 WO claimed
WO-2024094778-A1 POLYESTERS CLARIANT INTERNATIONAL LTD (CH) 2024-05-10 WO claimed
US-20230383154-A1 AMORPHOUS COPOLYESTER RESINS FOR USE AS A COLD SEAL ADHESIVE, COATING COMPOSITIONS BOSTIK, INC. 2023-11-30 US claimed
EP-4232495-A1 AMORPHOUS COPOLYESTER RESINS FOR USE AS A COLD SEAL ADHESIVE, COATING COMPOSITIONS Bostik, Inc. (US) 2023-08-30 EP claimed
CN-116390964-A Amorphous copolyester resins, coating compositions, and methods for use as cold seal binders 波士胶公司 2023-07-04 CN claimed
US-20230017520-A1 POLYESTER FILAMENTS WITH IMPROVED DYEABILITY ALADDIN MANUFACTURING CORPORATION 2023-01-19 US claimed
EP-4072435-A1 POLYESTER FILAMENTS WITH IMPROVED DYEABILITY Aladdin Manufacturing Corporation (US) 2022-10-19 EP claimed
WO-2022087102-A1 AMORPHOUS COPOLYESTER RESINS FOR USE AS A COLD SEAL ADHESIVE, COATING COMPOSITIONS BOSTIK, INC. (US) 2022-04-28 WO claimed
WO-2021119057-A1 POLYESTER FILAMENTS WITH IMPROVED DYEABILITY ALADDIN MANUFACTURING CORPORATION (US) 2021-06-17 WO claimed
US-11015051-B2 Polyethylene terephthalate containers with improved performance INDORAMA GERMANY GMBH (DE) 2021-05-25 US claimed
WO-2021038512-A1 A PROCESS FOR MANUFACTURING SPECIALTY POLYESTERS & CO-POLYESTERS FROM RECYCLED BIS 2-HYDROXYETHYL TEREPHTHALATE (RBHET) AND PRODUCT THEREOF KULKARNI SANJAY TAMMAJI (IN) 2021-03-04 WO claimed
US-20060036012-A1 Process for producing a wollastonite containing polyester and products and articles produced therefrom E. I. DU PONT DE NEMOURS AND COMPANY 2006-02-16 US claimed
WO-2004078826-A1 BIODEGRADABLE ALPHATIC POLYESTER IONOMERIC RESIN AND ITS PREPARING METHOD HANYANG HAKWON CO., LTD. (KR) 2004-09-16 WO claimed
US-6331606-B1 CONTAINING SULFONATED MONOMER; TOUGHNESS, IMPACT STRENGTH E. I. DU PONT DE NEMOURS AND COMAPNY 2001-12-18 US claimed
US-6191192-B1 URETHRAL CATHETERS, GLOVES TOYO BOSEKI KABUSHIKI KAISHA (JP) 2001-02-20 US claimed
US-5348832-A Toner compositions XEROX CORPORATION (US) 1994-09-20 US claimed
EP-0121051-A1 Copolymeric nucleating agent for polyester GENERAL ELECTRIC COMPANY (US) 1984-10-10 EP claimed
US-4451606-A A POLYALKYLENE TEREPHTHALATE AND A SULFONATE SALT GENERAL ELECTRIC COMPANY (US) 1984-05-29 US claimed
US-4241169-A IMPROVED ADHESION E. I. DU PONT DE NEMOURS & COMPANY (US) 1980-12-23 US claimed