SCHEMBL4115385

SCHEMBL4115385

Nc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1.[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 1/20 0.43
CASP6 P55212 3/20 0.71
NSD2 O96028 1/20 0.71
DUSP3 P51452 1/20 0.71
PTPN5 P54829 1/20 0.71
PTPN11 Q06124 1/20 0.71
PRMT1 Q99873 2/20 0.62
SIRT1 Q96EB6 1/20 0.62
PTPN1 P18031 3/20 0.54
NT5E P21589 1/20 0.54
APEX1 P27695 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
DUSP5 Q16690 3/20 0.48
PLAU P00749 1/20 0.46
PKLR P30613 2/20 0.41
HKDC1 Q2TB90 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
DUSP6 Q16828 1/20 0.39
CYP2C9 P11712 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
SCHEMBL565059 0.88 PRMT1 (0.71) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL29575770 0.88 PRMT1 (0.71) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL4113771 0.87 NT5E (0.71) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL29702480 0.87 NT5E (0.71) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL10623046 0.87 NT5E (0.71) CASP6NSD2DUSP3PTPN5PTPN11
Water SCHEMBL21057100 0.86 PRMT1 (0.69) CASP6NSD2DUSP3PTPN5PTPN11
Water SCHEMBL29402350 0.86 PRMT1 (0.69) CASP6NSD2DUSP3PTPN5PTPN11
Potassium Ion SCHEMBL18274859 0.84 PRMT1 (0.67) CASP6NSD2DUSP3PTPN5PTPN11
Silver SCHEMBL11309326 0.84 NT5E (0.71) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL29399528 0.83 CASP6 (1.00) CASP6NSD2DUSP3PTPN5PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539803-B Direct red/direct violet dye compound and preparation method and application thereof 广东省科学院测试分析研究所(中国广州分析测试中心) 2024-08-30 CN claimed
CN-114539803-A Direct red/direct violet dye compound and preparation method and application thereof 广东省科学院测试分析研究所(中国广州分析测试中心) 2022-05-27 CN claimed
CN-102408754-B Brightening disperse red 3B dye composition and preparation method thereof UNIV SOOCHOW 2014-01-08 CN claimed
CN-102558900-B Preparation method for direct blending scarlet D-GLN WUJIANG MEIYAN SANYOU DYESTUFF CHEMICAL CO LTD 2013-05-22 CN claimed
CN-102558900-A Preparation method for direct blending scarlet D-GLN WUJIANG MEIYAN SANYOU DYESTUFF CHEMICAL CO LTD 2012-07-11 CN claimed
CN-102408754-A Brightening disperse red 3B dye composition and preparation method thereof UNIV SOOCHOW 2012-04-11 CN claimed
JP-55092696-A None JP disclosed
CN-114539803-B Direct red/direct violet dye compound and preparation method and application thereof 广东省科学院测试分析研究所(中国广州分析测试中心) 2024-08-30 CN disclosed
US-20240084144-A1 REACTIVE DYES AND PREPARATION METHODS THEREOF NANTONG UNIVERSITY (CN) 2024-03-14 US disclosed
CN-115386244-B Double-color-body pH color-changing reactive dye and preparation and application thereof 南通大学 2023-10-20 CN disclosed
CN-115368753-B PH color-changing reactive dye for sweat detection and preparation method thereof 南通大学 2023-08-15 CN disclosed
CN-115386244-A Double-chromophore pH color-changing reactive dye and preparation and application thereof 南通大学 2022-11-25 CN disclosed
CN-115368753-A PH color-changing reactive dye for sweat detection and preparation method thereof 南通大学 2022-11-22 CN disclosed
CN-1908077-A Carbon material DEGUSSA (DE) 2007-02-07 CN disclosed
US-20060160849-A1 Pharmaceutical compositions containing sulphonic acid derivatives ITALFARMACO, S.A. (ES) 2006-07-20 US disclosed
EP-1602644-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SULPHONIC ACID DERIVATIVES Italfarmaco, S.A. (ES) 2005-12-07 EP disclosed
US-4230852-A CELLULOSE, COTTON, ORANGE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-10-28 US disclosed
JP-S5592696-A REAGENT FOR DETECTION OF PEROXIDASE MITSUI TADAO 1980-07-14 JP disclosed
US-4148790-A FOR CELLULOSIC FIBERS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1979-04-10 US disclosed
US-4038267-A TRIAZINE REACTIVE DYES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-07-26 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 (1 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-20060160849-A1 Pharmaceutical compositions containing sulphonic acid derivatives SUCNR1, NR1H4, CYP2B6 THRB 2260/4885CASP6 2305/4885NSD2 1673/4885

“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.