SCHEMBL1366871

SCHEMBL1366871

Nc1ccc(S(=O)(=O)[O-])cc1[N+](=O)[O-].[Na+]

nearest known ligand 0.63

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
CA12 known ✓ O43570 3/20 0.49
CA1 known ✓ P00915 3/20 0.49
CA2 known ✓ P00918 3/20 0.49
MEN1 O00255 3/20 0.63
POLB P06746 3/20 0.63
KMT2A Q03164 3/20 0.63
ALDH1A1 P00352 3/20 0.63
PKM P14618 1/20 0.63
TDP1 Q9NUW8 5/20 0.58
CYP3A4 P08684 2/20 0.58
MAPT P10636 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 2/20 0.55
FFAR4 Q5NUL3 1/20 0.51
LMNA P02545 1/20 0.50
CA9 Q16790 4/20 0.49
NSD2 O96028 1/20 0.49
GAA P10253 1/20 0.49
PLCG1 P19174 1/20 0.49
DNMT1 P26358 1/20 0.49

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
SCHEMBL30932792 0.85 KMT2A (0.67) MEN1POLBKMT2AALDH1A1PKM
SCHEMBL1564742 0.85 KMT2A (0.67) MEN1POLBKMT2AALDH1A1PKM
SCHEMBL1459627 0.84 CASP6 (0.65) MEN1POLBKMT2AALDH1A1PKM
SCHEMBL1911571 0.83 CA2 (0.68) MEN1POLBKMT2AALDH1A1PKM
SCHEMBL1131324 0.81 CASP6 (0.67) MEN1POLBKMT2AALDH1A1PKM
SCHEMBL913390 0.81 ALDH1A1 (0.68) MEN1POLBKMT2AALDH1A1PKM
SCHEMBL4865932 0.81 MEN1 (0.63) MEN1POLBKMT2AALDH1A1PKM
SCHEMBL7772187 0.81 MEN1 (0.68) MEN1POLBKMT2AALDH1A1PKM
SCHEMBL11201358 0.81 VCAM1 (0.47) MEN1POLBKMT2AALDH1A1PKM
SCHEMBL1366872 0.80 CASP6 (0.65) MEN1POLBKMT2AALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105949590-A Tensile cable sheath material and preparation method thereof 安徽华星电缆集团有限公司 2016-09-21 CN claimed
US-20260145165-A1 BACKSIDE POLISHING ADDITIVE FOR REDUCING ALKALI CONSUMPTION AND PREPARATION METHOD AND USE THEREOF Han, Gengxin (US) 2026-05-28 US disclosed
CN-119932712-A Texturing additive for improving efficiency of solar cell and preparation method and application thereof 韩庚欣 2025-05-06 CN disclosed
CN-119505712-A Back polishing additive for reducing alkali consumption and preparation method and application thereof 韩庚欣 2025-02-25 CN disclosed
US-20240167922-A1 TRANSPARENTIZING REAGENT AND TRANSPARENTIZING METHOD KYOTO UNIVERSITY (JP) 2024-05-23 US disclosed
EP-4306927-A1 TRANSPARENTIZING REAGENT AND TRANSPARENTIZING METHOD Kyoto University (JP) 2024-01-17 EP disclosed
WO-2022191336-A1 TRANSPARENTIZING REAGENT AND TRANSPARENTIZING METHOD 国立大学法人京都大学 2022-09-15 WO disclosed
CN-111295466-A Electroless nickel-phosphorus-cobalt plating bath and electroless nickel-phosphorus-cobalt plating film 上村工业株式会社 2020-06-16 CN disclosed
CN-105949590-A Tensile cable sheath material and preparation method thereof 安徽华星电缆集团有限公司 2016-09-21 CN disclosed
CN-105949590-A Tensile cable sheath material and preparation method thereof 安徽华星电缆集团有限公司 2016-09-21 CN disclosed
EP-1579277-A1 POLYHYDROXYALKANOATE CONTAINING AMIDE GROUP, SULFONIC GROUP, AND SULFONATE ESTER GROUP, METHOD FOR PRODUCING THE SAME, AND CHARGE CONTROL AGENT, TONER, IMAGE FORMING METHOD, AND IMAGE FORMING APPARATUS Canon Kabushiki Kaisha (JP) 2005-09-28 EP disclosed
EP-1579276-A1 NOVEL POLYHYDROXYALKANOATE HAVING AMIDE, SULFONIC ACID OR SULFONATE ESTER GROUP, CHARGE CONTROL AGENT AND TONER CANON KABUSHIKI KAISHA (JP) 2005-09-28 EP disclosed
EP-1086076-B1 SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMA (US) 2004-12-22 EP disclosed
WO-2004061529-A1 NOVEL POLYHYDROXYALKANOATE HAVING AMIDE, SULFONIC ACID OR SULFONATE ESTER GROUP, CHARGE CONTROL AGENT AND TONER CANON KABUSHIKI KAISHA (JP) 2004-07-22 WO disclosed
WO-2004061530-A1 POLYHYDROXYALKANOATE CONTAINING AMIDE GROUP, SULFONIC GROUP, AND SULFONATE ESTER GROUP, METHOD FOR PRODUCING THE SAME, AND CHARGE CONTROL AGENT, TONER, IMAGE FORMING METHOD, AND IMAGE FORMING APPARATUS CANON KABUSHIKI KAISHA (JP) 2004-07-22 WO disclosed
US-20040097594-A1 Sulfonamide inhibitors of aspartyl protease HALE MICHAEL ROBIN (US) 2004-05-20 US disclosed
US-6613743-B2 Administering to a patient suffering from viral infections a sulfonamides antiviral agents which are aspartyl protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-09-02 US disclosed
EP-1235825-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS Pfizer Products Inc. (US) 2002-09-04 EP disclosed
US-20020049201-A1 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2002-04-25 US disclosed
WO-2001040217-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PRODUCTS INC. (US) 2001-06-07 WO 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-20040097594-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP CA12 397/4885CA1 394/4885CA2 409/4885
US-20020049201-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP CA12 397/4885CA1 394/4885CA2 409/4885
US-20240167922-A1 TRANSPARENTIZING REAGENT AND TRANSPARENTIZING METHOD TST, TTR, ALB CA12 79/4885CA1 377/4885CA2 2629/4885
US-20260145165-A1 BACKSIDE POLISHING ADDITIVE FOR REDUCING ALKALI CONSUMPTION AND PREPARATION METHOD AND USE THEREOF DBH, LMNA, BCOR CA12 484/4885CA1 182/4885CA2 188/4885

“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.