SCHEMBL110710

SCHEMBL110710

Cc1cc(C)c(S(=O)(=O)[O-])cc1N=Nc1cc(S(=O)(=O)[O-])c2ccccc2c1O.[Na+].[Na+]

nearest known ligand 0.71

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
THRB known ✓ P10828 2/20 0.71
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
ALOX12 P18054 1/20 0.56
MAPK1 P28482 1/20 0.56
RECQL P46063 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ENPP2 Q13822 2/20 0.50
APP P05067 2/20 0.50
GLB1 P16278 1/20 0.50
CHAT P28329 1/20 0.50
PHLPP2 Q6ZVD8 1/20 0.50
CTRC Q99895 1/20 0.50
SLC7A11 Q9UPY5 2/20 0.48
ALB P02768 1/20 0.46
HSPD1 P10809 1/20 0.46
PTPN1 P18031 1/20 0.46

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
SCHEMBL110711 1.00 THRB (0.71) THRBALDH1A1CYP3A4HPGDALOX15
SCHEMBL29382053 1.00 THRB (0.71) THRBALDH1A1CYP3A4HPGDALOX15
SCHEMBL4841813 0.94 THRB (0.67) THRBALDH1A1CYP3A4HPGDALOX15
SCHEMBL3188346 0.94 THRB (0.67) THRBALDH1A1CYP3A4HPGDALOX15
SCHEMBL29382082 0.87 THRB (0.74) THRBALDH1A1CYP3A4HPGDALOX15
SCHEMBL1136824 0.84 BRD4 (0.62) THRBALDH1A1HPGDALOX12RECQL
SCHEMBL692673 0.84 BRD4 (0.62) THRBALDH1A1HPGDALOX12RECQL
SCHEMBL6126114 0.84 BRD4 (0.62) THRBALDH1A1HPGDALOX12RECQL
E122 SCHEMBL29360316 0.83 THRB (1.00) THRBALDH1A1CYP3A4HPGDALOX15
E122 SCHEMBL2833594 0.83 THRB (1.00) THRBALDH1A1CYP3A4HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114388077-A Traditional Chinese medicine dyed material database based on micro-focusing Raman technology and application thereof in identification of traditional Chinese medicine dyed materials 成都市食品药品检验研究院 2022-04-22 CN claimed
WO-2021104729-A1 BIODEGRADABLE BEADS WITH DYES AND PIGMENTS BASF SE (DE) 2021-06-03 WO claimed
EP-3827806-A1 BIODEGRADABLE BEADS WITH DYES AND PIGMENTS BASF SE (DE) 2021-06-02 EP claimed
US-20200400663-A1 SILICA NANOPARTICLES FOR BIOMARKER DIAGNOSIS AND METHOD FOR PRODUCING SAME DXGEN CORP. (KR) 2020-12-24 US claimed
EP-3726215-A1 SILICA NANOPARTICLES FOR BIOMARKER DIAGNOSIS AND METHOD FOR PRODUCING SAME DxGen Corp. (KR) 2020-10-21 EP claimed
EP-2930126-B1 Fashionable aerosol dye HENKEL AG & CO KGAA (DE) 2019-10-09 EP claimed
WO-2019117586-A1 SILICA NANOPARTICLES FOR BIOMARKER DIAGNOSIS AND METHOD FOR PRODUCING SAME 주식회사 딕스젠 2019-06-20 WO claimed
US-9296901-B2 Composite particles, and coloring composition and resin composition using the same TODA KOGYO CORPORATION (JP) 2016-03-29 US claimed
US-20150079008-A1 FLUORESCENCE PLAQUE-DISCLOSANT FOR DETECTING DENTAL PLAQUE FLOSS MY HEART, LLC 2015-03-19 US claimed
EP-2544723-A2 COMPOSITIONS FOR COLON LAVAGE AND METHODS OF MAKING AND USING SAME Giuliani International Limited (IE) 2013-01-16 EP claimed
WO-2011110347-A2 COMPOSITIONS FOR COLON LAVAGE AND METHODS OF MAKING AND USING SAME GIULIANI INTERNATIONAL LIMITED (IE) 2011-09-15 WO claimed
US-20100081728-A1 Mixable and color tone freely reproducible dental coloring material composition, and set and method thereof KABUSHIKI KAISHA SHOFU 2010-04-01 US claimed
WO-2004004685-A1 MEDICINAL SUSPENSION AEROSOL MODEL SYSTEMS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-01-15 WO claimed
EP-0533937-B1 ACIDIC HAIR DYE COMPOSITION SHISEIDO CO LTD (JP) 1997-05-14 EP claimed
US-20260124128-A1 COMPOSITION COMPRISING LARGE AMOUNT OF POLYOL L'OREAL (FR) 2026-05-07 US disclosed
EP-4255391-B1 LUMINOL FOR USE IN THE TREATMENT OF SEQUELAE OF A SARS-COV-2 INFECTION METRIOPHARM AG (CH) 2026-05-06 EP disclosed
US-12616695-B2 Use of 5-amino-2,3-dihydro-1,4-phthalazinedione in the treatment of rare chronic inflammatory pulmonary diseases METRIOPHARM AG (CH) 2026-05-05 US disclosed
US-4855133-A Composition for attracting flies EARTH CHEMICAL COMPANY, LIMITED (JP) 1989-08-08 US disclosed
EP-0229191-A1 FLY-ATTRACTIVE COMPOSITION EARTH CHEMICAL CO., LTD. (JP) 1987-07-22 EP disclosed
US-3966922-A TETRACYCLINE, VITAMIN B(2), VANILLIN TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-06-29 US 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 (2 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-20260124128-A1 COMPOSITION COMPRISING LARGE AMOUNT OF POLYOL GK, PRKG2, PRKG1 THRB 2784/4885ALDH1A1 2331/4885CYP3A4 4871/4885
US-12616695-B2 Use of 5-amino-2,3-dihydro-1,4-phthalazinedione in the treatment of rare chronic inflammatory pulmonary diseases CRYZ, PDE12, FKBP5 THRB 4196/4885ALDH1A1 515/4885CYP3A4 3314/4885

“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.