SCHEMBL29396086

SCHEMBL29396086

O=S(=O)([O-])c1ccc(N=Nc2c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(O)c3c2O)cc1.[Na+].[Na+].[Na+]

nearest known ligand 0.70

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 3/20 0.56
▸ MEN1 O00255 1/20 0.70
▸ POLB P06746 1/20 0.70
▸ GRK2 P25098 1/20 0.70
▸ KMT2A Q03164 1/20 0.70
▸ PLEC Q15149 1/20 0.70
▸ PTPN1 P18031 3/20 0.57
▸ USP2 O75604 1/20 0.57
▸ ATM Q13315 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ APP P05067 1/20 0.57
▸ DUSP5 Q16690 1/20 0.52
▸ PRMT1 Q99873 1/20 0.52
▸ APEX1 P27695 2/20 0.49
▸ CYP1A2 P05177 3/20 0.48
▸ MAPK1 P28482 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ DNASE1L3 Q13609 1/20 0.47
▸ PLCG1 P19174 1/20 0.47
▸ PHLPP2 Q6ZVD8 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
SCHEMBL7558820 1.00 MEN1 (0.70) MEN1POLBGRK2KMT2APLEC
SCHEMBL29538678 0.94 POLB (0.66) MEN1POLBGRK2KMT2APLEC
SCHEMBL11791659 0.94 MEN1 (0.66) MEN1POLBGRK2KMT2APLEC
SCHEMBL11791648 0.94 MEN1 (0.66) MEN1POLBGRK2KMT2APLEC
SCHEMBL5859446 0.94 POLB (0.66) MEN1POLBGRK2KMT2APLEC
SCHEMBL287038 0.94 POLB (0.66) MEN1POLBGRK2KMT2APLEC
SCHEMBL29355238 0.93 MEN1 (0.65) MEN1POLBGRK2KMT2APLEC
SCHEMBL590957 0.90 MEN1 (0.61) MEN1POLBGRK2KMT2APLEC
SCHEMBL29833871 0.90 MEN1 (0.61) MEN1POLBGRK2KMT2APLEC
SCHEMBL5859497 0.90 MEN1 (0.61) MEN1POLBGRK2KMT2APLEC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025226660-A1 ULTRA-CONDUCTIVE POLYMER ELECTROLYTES AND METHODS OF SYNTHESIZING SAME UNIVERSITY OF MIAMI (US) 2025-10-30 — — WO claimed
US-20240241100-A1 METHODS, APPARATUSES, AND KITS FOR DETECTION OF LEAD AND OTHER MATERIALS IN WATER ITA INT LLC (US) 2024-07-18 — — US claimed
EP-3948264-B1 NON-BLEACHING COLORIMETRIC AND FLUOROMETRIC ANALYTE DETECTION BY DEGRADATION OF SOLIDS HACH CO (US) 2026-05-06 — — EP disclosed
WO-2025226660-A1 ULTRA-CONDUCTIVE POLYMER ELECTROLYTES AND METHODS OF SYNTHESIZING SAME UNIVERSITY OF MIAMI (US) 2025-10-30 — — WO disclosed
EP-3965738-B1 METHOD FOR PRODUCTION OF LIPOSOMES UNIV DO MINHO (PT) 2025-08-06 — — EP disclosed
EP-3710820-B1 DEVICES FOR SAMPLE ANALYSIS USING EPITACHOPHORESIS HOFFMANN LA ROCHE (CH) 2025-06-11 — — EP disclosed
US-12311357-B2 Devices for sample analysis using epitachophoresis Roche Sequencing Solutions, Inc. (US) 2025-05-27 — — US disclosed
CN-119574540-A Colorimetric detection of fluoride in aqueous samples 哈希公司 2025-03-07 — — CN disclosed
US-20250067711-A1 DETECTION OF PER AND POLYFLUOROALKYL SUBSTANCES USING TOTAL ORGANIC FLUORIDE HACH COMPANY (US) 2025-02-27 — — US disclosed
US-12163937-B2 Detection of per and polyfluoroalkyl substances using total organic fluoride HACH COMPANY (US) 2024-12-10 — — US disclosed
EP-4466536-A1 DETECTION OF PER AND POLYFLUOROALKYL SUBSTANCES USING TOTAL ORGANIC FLUORIDE Hach Company (US) 2024-11-27 — — EP disclosed
US-20220325268-A1 DEVICES AND METHODS FOR SAMPLE ANALYSIS Roche Sequencing Solutions, Inc. 2022-10-13 — — US disclosed
US-20220241203-A1 METHOD FOR PRODUCTION OF LIPOSOMES UNIVERSIDADE DO MINHO (PT) 2022-08-04 — — US disclosed
WO-2022122659-A1 FREE-FLOW ELECTROPHORESIS METHOD FOR SEPARATING ANALYTES WEBER GERHARD (DE) 2022-06-16 — — WO disclosed
EP-4012395-A1 FREE-FLOW ELECTROPHORESIS METHOD FOR SEPARATING ANALYTES Weber, Gerhard (DE) 2022-06-15 — — EP disclosed
US-20220178892-A1 NON-BLEACHING COLORIMETRIC AND FLUOROMETRIC ANALYTE DETECTION BY DEGRADATION OF SOLIDS HACH COMPANY 2022-06-09 — — US disclosed
US-11333645-B2 Colorimetric detection of fluoride in an aqueous sample HACH COMPANY (US) 2022-05-17 — — US disclosed
CN-114269916-A Device and method for sample analysis 豪夫迈·罗氏有限公司 2022-04-01 — — CN disclosed
EP-3956659-A1 COLORIMETRIC DETECTION OF FLUORIDE IN AN AQUEOUS SAMPLE Hach Company (US) 2022-02-23 — — EP disclosed
US-11236234-B2 Joint compounds and plasters with a complexometric dye and methods UNITED STATES GYPSUM COMPANY (US) 2022-02-01 — — 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-11236234-B2 Joint compounds and plasters with a complexometric dye and methods LCP1, INTS6, PLOD2 THRB 4881/4885MEN1 888/4885POLB 627/4885

“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.

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