SCHEMBL3246905

SCHEMBL3246905

Nc1cccc2cc(S(=O)(=O)[O-])ccc12.[Na+]

nearest known ligand 0.51

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
FGF1 known ✓ P05230 1/20 0.45
THRB known ✓ P10828 1/20 0.42
HSD17B10 Q99714 3/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 3/20 0.51
ATIC P31939 1/20 0.51
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 2/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
KEAP1 Q14145 1/20 0.45
SLC7A11 Q9UPY5 1/20 0.44
DUSP5 Q16690 1/20 0.44
CASP6 P55212 2/20 0.41
TTR P02766 1/20 0.41
CLTC Q00610 1/20 0.40
LMNA P02545 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTPN1 P18031 1/20 0.38
CYP1A2 P05177 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
SCHEMBL28471752 0.96 HSD17B10 (0.51) HSD17B10CYP2C9CYP2C19ATICALDH1A1
SCHEMBL4113857 0.86 ALDH1A1 (0.47) HSD17B10CYP2C9CYP2C19ATICALDH1A1
SCHEMBL1807955 0.84 LMNA (0.58) HSD17B10CYP2C9CYP2C19ATICALDH1A1
SCHEMBL29518641 0.82 ALDH1A1 (0.62) HSD17B10CYP2C9CYP2C19ATICALDH1A1
SCHEMBL29941351 0.82 ALDH1A1 (0.62) HSD17B10CYP2C9CYP2C19ATICALDH1A1
SCHEMBL157169 0.82 ALDH1A1 (0.62) HSD17B10CYP2C9CYP2C19ATICALDH1A1
SCHEMBL4311014 0.82 HSD17B10 (0.51) HSD17B10CYP2C9CYP2C19ATICALDH1A1
SCHEMBL28474739 0.82 ALDH1A1 (0.47) HSD17B10CYP2C9CYP2C19ATICALDH1A1
SCHEMBL11439997 0.81 ALDH1A1 (0.47) HSD17B10CYP2C9CYP2C19ALDH1A1SLC7A11
SCHEMBL30495977 0.81 FGF1 (0.47) FGF1DUSP5THRBCASP6CLTC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116273159-B Sulfonated immobilized binary catalyst, preparation method and application thereof 中国人民解放军军事科学院系统工程研究院 2023-11-17 CN claimed
CN-116273159-A Sulfonated immobilized binary catalyst, preparation method and application thereof 中国人民解放军军事科学院系统工程研究院 2023-06-23 CN claimed
US-20090306132-A1 USE OF DERIVATIVES OF NAPHTHALENESULPHONIC OR QUINOLINESULPHONIC ACID IN THE TREATMENT OF VASOPROLIFERATIVE OCULAR DISEASES ITALFARMACO, S.A. (ES) 2009-12-10 US claimed
US-20090076140-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SULPHONIC ACID DERIVATIVES ITALFARMACO, S. A. (ES) 2009-03-19 US claimed
EP-1994929-A1 USE OF DERIVATIVES OF NAPHTHALENESULPHONIC OR QUINOLINESULPHONIC ACID IN THE TREATMENT OF VASOPROLIFERATIVE OCULAR DISEASES ITALFARMACO, S.A. (ES) 2008-11-26 EP claimed
US-20060160849-A1 Pharmaceutical compositions containing sulphonic acid derivatives ITALFARMACO, S.A. (ES) 2006-07-20 US claimed
EP-1602644-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SULPHONIC ACID DERIVATIVES Italfarmaco, S.A. (ES) 2005-12-07 EP claimed
CN-116273159-B Sulfonated immobilized binary catalyst, preparation method and application thereof 中国人民解放军军事科学院系统工程研究院 2023-11-17 CN disclosed
CN-116273159-A Sulfonated immobilized binary catalyst, preparation method and application thereof 中国人民解放军军事科学院系统工程研究院 2023-06-23 CN disclosed
US-20160369237-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY ADVANCED CELL TECH INC (US) 2016-12-22 US disclosed
EP-1754756-B1 Carbon material ORION ENG CARBONS GMBH (DE) 2016-12-07 EP disclosed
CN-1908077-B Carbon material DEGUSSA 2012-08-22 CN disclosed
CN-101240119-B Carbon black reacted with diazonium salts and products CABOT CORP 2011-05-11 CN disclosed
CN-1321708-A Carbon black reacted with diazols, and products CABOT CORP (US) 2001-11-14 CN disclosed
CN-1175270-A Carbon black reacted with diazonium salts and products CABOT CORP (US) 1998-03-04 CN disclosed
EP-0793653-A1 CERTAIN 4-AMINOMETHYL-2-SUBSTITUTED IMIDAZOLE DERIVATIVES AND 2-AMINOMETHYL-4-SUBSTITUTED IMIDAZOLE DERIVATIVES; NEW CLASSES OF DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1997-09-10 EP disclosed
EP-0558258-B1 N-isoxazole-naphthylsulfonamide derivatives and their use as endothelin antagonists SQUIBB & SONS INC (US) 1997-05-07 EP disclosed
WO-1996016040-A1 CERTAIN 4-AMINOMETHYL-2-SUBSTITUTED IMIDAZOLE DERIVATIVES AND 2-AMINOMETHYL-4-SUBSTITUTED IMIDAZOLE DERIVATIVES; NEW CLASSES OF DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1996-05-30 WO disclosed
US-5378715-A Sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1995-01-03 US disclosed
EP-0558258-A1 N-isoxazole-naphthylsulfonamide derivatives and their use as endothelin antagonists E.R. SQUIBB & SONS, INC. (US) 1993-09-01 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090306132-A1 USE OF DERIVATIVES OF NAPHTHALENESULPHONIC OR QUINOLINESULPHONIC ACID IN THE TREATMENT OF VASOPROLIFERATIVE OCULAR DISEASES NQO2, SQLE, SQOR FGF1 693/4885THRB 4784/4885HSD17B10 1854/4885
US-20090076140-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SULPHONIC ACID DERIVATIVES SUCNR1, NR1H4, CYP2B6 FGF1 1378/4885THRB 2224/4885HSD17B10 436/4885
US-20060160849-A1 Pharmaceutical compositions containing sulphonic acid derivatives SUCNR1, NR1H4, CYP2B6 FGF1 1320/4885THRB 2260/4885HSD17B10 429/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.