SCHEMBL6520074

SCHEMBL6520074

O=Cc1cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c1.[Na+].[Na+]

nearest known ligand 0.42

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 14)

geneUniProtsupporting neighboursconfidence
CA12 known ✓ O43570 1/20 0.35
CA1 known ✓ P00915 1/20 0.35
CA2 known ✓ P00918 1/20 0.35
XDH known ✓ P47989 1/20 0.31
DUSP5 Q16690 4/20 0.42
PTPN1 P18031 3/20 0.42
DUSP6 Q16828 1/20 0.42
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PLCG1 P19174 1/20 0.39
CA9 Q16790 1/20 0.35
PKLR P30613 2/20 0.33
SIRT1 Q96EB6 1/20 0.31
PRMT1 Q99873 1/20 0.31

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
SCHEMBL28959284 0.95 DUSP5 (0.42) DUSP5PTPN1DUSP6LMNATDP1
SCHEMBL10452210 0.86 LMNA (0.42) DUSP5PTPN1DUSP6LMNATDP1
SCHEMBL124132 0.82 DUSP5 (0.54) DUSP5PTPN1DUSP6LMNATDP1
SCHEMBL28533048 0.81 KMT2A (0.40) CA12CA1CA2CA9XDH
SCHEMBL31228317 0.79 TDP1 (0.43) DUSP5PTPN1DUSP6LMNATDP1
SCHEMBL1410955 0.79 CA1 (0.50) DUSP5PTPN1LMNATDP1PLCG1
SCHEMBL2800194 0.78 CYP2A6 (0.44) LMNATDP1PLCG1CA12CA1
Potassium Ion SCHEMBL9220931 0.76 PTPN1 (0.50) DUSP5PTPN1DUSP6LMNATDP1
Silver SCHEMBL216135 0.76 PTPN1 (0.50) DUSP5PTPN1DUSP6LMNATDP1
SCHEMBL216137 0.76 PTPN1 (0.50) DUSP5PTPN1DUSP6LMNATDP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739083-B2 Disposable sensor chip with reagent including 2-substituted benzothiazolyl-3-substituted phenyl-5-substituted sulfonated phenyl-2H-tetrazolium salt TERUMO KABUSHIKI KAISHA (JP) 2023-08-29 US disclosed
CN-109689648-B 2-substituted benzothiazolyl-3-substituted phenyl-5-substituted sulfonated phenyl-2H-tetrazolium salt 泰尔茂株式会社 2022-07-26 CN disclosed
US-20210009578-A1 DISPOSABLE SENSOR CHIP WITH REAGENT INCLUDING 2-SUBSTITUTED BENZOTHIAZOLYL-3-SUBSTITUTED PHENYL-5-SUBSTITUTED SULFONATED PHENYL-2H-TETRAZOLIUM SALT TERUMO KABUSHIKI KAISHA (JP) 2021-01-14 US disclosed
US-10851094-B2 2-substituted benzothiazolyl-3-substituted phenyl-5-substituted sulfonated phenyl-2H-tetrazolium salt, reagent for biological component concentration measurement containing said salt, and biological component concentration measurement method using said salt TERUMO KABUSHIKI KAISHA (JP) 2020-12-01 US disclosed
EP-3514156-A1 2-SUBSTITUTED BENZOTHIAZOLYL-3-SUBSTITUTED PHENYL-5-SUBSTITUTED SULFONATED PHENYL-2H-TETRAZOLIUM SALT, BIOLOGICAL COMPONENT CONCENTRATION MEASUREMENT REAGENT CONTAINING SAID SALT, AND BIOLOGICAL COMPONENT CONCENTRATION MEASUREMENT METHOD USING SAID SALT Terumo Kabushiki Kaisha (JP) 2019-07-24 EP disclosed
US-20190185465-A1 2-SUBSTITUTED BENZOTHIAZOLYL-3-SUBSTITUTED PHENYL-5-SUBSTITUTED SULFONATED PHENYL-2H-TETRAZOLIUM SALT, REAGENT FOR BIOLOGICAL COMPONENT CONCENTRATION MEASUREMENT CONTAINING SAID SALT, AND BIOLOGICAL COMPONENT CONCENTRATION MEASUREMENT METHOD USING SAID SALT TERUMO KABUSHIKI KAISHA (JP) 2019-06-20 US disclosed
US-20050048554-A1 Method of making and using hybrid polymeric thin films for bio-microarray applications ENGERY, UNITED STATES DEPARTMENT OF 2005-03-03 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 (4 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-20210009578-A1 DISPOSABLE SENSOR CHIP WITH REAGENT INCLUDING 2-SUBSTITUTED BENZOTHIAZOLYL-3-SUBSTITUTED PHENYL-5-SUBSTITUTED SULFONATED PHENYL-2H-TETRAZOLIUM SALT STUB1, BTK, TST CA12 1177/4885CA1 1444/4885CA2 822/4885
US-10851094-B2 2-substituted benzothiazolyl-3-substituted phenyl-5-substituted sulfonated phenyl-2H-tetrazolium salt, reagent for biological component concentration measurement containing said salt, and biological component concentration measurement method using said salt BPNT1, EPB41, IL4 CA12 828/4885CA1 723/4885CA2 77/4885
US-11739083-B2 Disposable sensor chip with reagent including 2-substituted benzothiazolyl-3-substituted phenyl-5-substituted sulfonated phenyl-2H-tetrazolium salt STUB1, BTK, TST CA12 1177/4885CA1 1444/4885CA2 822/4885
US-20190185465-A1 2-SUBSTITUTED BENZOTHIAZOLYL-3-SUBSTITUTED PHENYL-5-SUBSTITUTED SULFONATED PHENYL-2H-TETRAZOLIUM SALT, REAGENT FOR BIOLOGICAL COMPONENT CONCENTRATION MEASUREMENT CONTAINING SAID SALT, AND BIOLOGICAL COMPONENT CONCENTRATION MEASUREMENT METHOD USING SAID SALT BPNT1, EPB41, IL4 CA12 828/4885CA1 723/4885CA2 77/4885

“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.