Menadione Sulfurous Acid

Menadione Sulfurous Acid

SCHEMBL460404

CC1(S(=O)(=O)O)CC(=O)c2ccccc2C1=O.O.O.O.[NaH]

nearest known ligand 0.94

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Menadione Sulfurous Acid. 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
MEN1 known ✓ O00255 3/20 0.68
THRB known ✓ P10828 2/20 0.33
OPRM1 known ✓ P35372 2/20 0.32
OPRK1 known ✓ P41145 1/20 0.31
POLB P06746 4/20 0.68
KMT2A Q03164 3/20 0.68
ALDH1A1 P00352 4/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
RECQL P46063 3/20 0.37
ALOX12 P18054 2/20 0.37
MAPK1 P28482 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
CA7 P43166 1/20 0.37
BACE1 P56817 1/20 0.37
CA9 Q16790 1/20 0.37
EHMT2 Q96KQ7 1/20 0.37
GFER P55789 1/20 0.34

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
Menadione Sulfurous Acid SCHEMBL461613 1.00 POLB (0.68) POLBMEN1KMT2AALDH1A1L3MBTL1
Menadione Sulfurous Acid SCHEMBL459627 0.98 POLB (0.65) POLBMEN1KMT2AALDH1A1L3MBTL1
Menadione Sulfurous Acid SCHEMBL18314150 0.97 POLB (0.67) POLBMEN1KMT2AALDH1A1L3MBTL1
Menadione Sulfurous Acid SCHEMBL459525 0.97 POLB (0.67) POLBMEN1KMT2AALDH1A1L3MBTL1
Menadione Sulfurous Acid SCHEMBL461202 0.95 POLB (0.65) POLBMEN1KMT2AALDH1A1L3MBTL1
Menadione Sulfurous Acid SCHEMBL2403513 0.95 POLB (0.65) POLBMEN1KMT2AALDH1A1L3MBTL1
Menadione Sulfurous Acid SCHEMBL459907 0.95 POLB (0.65) POLBMEN1KMT2AALDH1A1L3MBTL1
Menadione Sulfurous Acid SCHEMBL9858611 0.84 POLB (0.53) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL18309831 0.81 MEN1 (0.69) POLBMEN1KMT2AALDH1A1L3MBTL1
Menadione Sulfurous Acid SCHEMBL460403 0.81 MEN1 (1.00) POLBMEN1KMT2AALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12295957-B2 Ascorbic acid and quinone compounds in combination with an antiparasitic agent for treating a parasitic disease IC-MedTech Corp. (US) 2025-05-13 US disclosed
US-20240398755-A1 ASCORBIC ACID AND QUINONE COMPOUNDS FOR TREATING CHAGAS DISEASE IC-MedTech Corp. 2024-12-05 US disclosed
US-11998523-B2 Ascorbic acid and quinone compounds for treating Chagas disease IC-MedTech Corp. (US) 2024-06-04 US disclosed
US-20240165084-A1 ASCORBIC ACID AND QUINONE COMPOUNDS IN COMBINATION WITH AN ANTIPARASITIC AGENT FOR TREATING A PARASITIC DISEASE IC-MedTech Corp. 2024-05-23 US disclosed
US-11872233-B2 Ascorbic acid and quinone compounds in combination with an antiparasitic agent for treating a parasitic disease IC-MedTech Corp. (US) 2024-01-16 US disclosed
US-20220409577-A1 INTRATUMORAL ADMINISTRATION OF ASCORBIC ACID AND QUINONE COMPOUNDS FOR TUMOR TREATMENT IC-MedTech Corp. 2022-12-29 US disclosed
US-20210361666-A1 ASCORBIC ACID AND QUINONE COMPOUNDS IN COMBINATION WITH AN ANTIPARASITIC AGENT FOR TREATING A PARASITIC DISEASE MARINGA STATE UNIVERSITY (BR) 2021-11-25 US disclosed
US-20210283100-A1 ASCORBIC ACID, QUINONE COMPOUND, AND SODIUM GLUCOSE COTRANSPORTER INHIBITOR FOR TREATING CANCER IC MEDTECH CORP (US) 2021-09-16 US disclosed
US-20190343794-A1 ASCORBIC ACID AND QUINONE COMPOUNDS FOR TREATING CHAGAS DISEASE IC-MedTech Corp. 2019-11-14 US disclosed
EP-3490543-A1 ASCORBIC ACID, QUINONE COMPOUND, AND SODIUM GLUCOSE COTRANSPORTER INHIBITOR FOR TREATING CANCER IC-Medtech Corp. (US) 2019-06-05 EP disclosed
US-9050265-B2 Vitamin C and vitamin K, and compositions thereof for treatment of osteolysis or prolongation of prosthetic implant SUMMA HEALTH SYSTEM (US) 2015-06-09 US disclosed
US-20140200270-A1 VITAMINS C AND K FOR TREATING POLYCYSTIC DISEASES SUMMA HEALTH SYSTEM (US) 2014-07-17 US disclosed
WO-2014110305-A1 VITAMINS C AND K FOR TREATING POLYCYSTIC DISEASES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2014-07-17 WO disclosed
WO-2014074765-A2 VITAMIN C, VITAMIN K, A POLYPHENOL, AND COMBINATIONS THEREOF FOR WOUND HEALING SUMMA HEALTH SYSTEM (US) 2014-05-15 WO disclosed
US-20130178522-A1 VITAMIN C AND CHROMIUM-FREE VITAMIN K, AND COMPOSITIONS THEREOF FOR TREATING AN NFKB-MEDIATED CONDITION OR DISEASE SUMMA HEALTH SYSTEM 2013-07-11 US disclosed
EP-2595615-A1 VITAMIN C AND CHROMIUM-FREE VITAMIN K, AND COMPOSITIONS THEREOF FOR TREATING AN NFKB-MEDIATED CONDITION OR DISEASE Summa Health System (US) 2013-05-29 EP disclosed
US-20120184609-A1 VITAMIN C AND VITAMIN K, AND COMPOSITIONS THEREOF FOR TREATMENT OF OSTEOLYSIS OR PROLONGATION OF PROSTHETIC IMPLANT SUMMA HEALTH SYSTEM (US) 2012-07-19 US disclosed
EP-2456306-A1 VITAMIN C AND VITAMIN K, AND COMPOSITIONS THEREOF FOR TREATMENT OF OSTEOLYSIS OR PROLONGATION OF PROSTHETIC IMPLANT Summa Health System (US) 2012-05-30 EP disclosed
WO-2012012370-A1 VITAMIN C AND CHROMIUM-FREE VITAMIN K, AND COMPOSITIONS THEREOF FOR TREATING AN NFKB-MEDIATED CONDITION OR DISEASE SUMMA HEALTH SYSTEM (US) 2012-01-26 WO disclosed
WO-2011011317-A1 VITAMIN C AND VITAMIN K, AND COMPOSITIONS THEREOF FOR TREATMENT OF OSTEOLYSIS OR PROLONGATION OF PROSTHETIC IMPLANT SUMMA HEALTH SYSTEM (US) 2011-01-27 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 (12 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-20210283100-A1 ASCORBIC ACID, QUINONE COMPOUND, AND SODIUM GLUCOSE COTRANSPORTER INHIBITOR FOR TREATING CANCER SLC5A1, SLC5A2, SLC5A6 MEN1 937/4885THRB 3414/4885OPRM1 3712/4885
US-11872233-B2 Ascorbic acid and quinone compounds in combination with an antiparasitic agent for treating a parasitic disease NQO1, ADH7, CYP27B1 MEN1 2407/4885THRB 3967/4885OPRM1 3798/4885
US-20210361666-A1 ASCORBIC ACID AND QUINONE COMPOUNDS IN COMBINATION WITH AN ANTIPARASITIC AGENT FOR TREATING A PARASITIC DISEASE NQO1, ADH7, CYP27B1 MEN1 2407/4885THRB 3967/4885OPRM1 3798/4885
US-20220409577-A1 INTRATUMORAL ADMINISTRATION OF ASCORBIC ACID AND QUINONE COMPOUNDS FOR TUMOR TREATMENT NDUFB7, NDUFA12, NDUFB11 MEN1 1050/4885THRB 2730/4885OPRM1 4153/4885
US-20240165084-A1 ASCORBIC ACID AND QUINONE COMPOUNDS IN COMBINATION WITH AN ANTIPARASITIC AGENT FOR TREATING A PARASITIC DISEASE NQO1, ADH7, CYP27B1 MEN1 2407/4885THRB 3967/4885OPRM1 3798/4885
US-11998523-B2 Ascorbic acid and quinone compounds for treating Chagas disease NQO1, ADH7, TALDO1 MEN1 2264/4885THRB 3280/4885OPRM1 4233/4885
US-20130178522-A1 VITAMIN C AND CHROMIUM-FREE VITAMIN K, AND COMPOSITIONS THEREOF FOR TREATING AN NFKB-MEDIATED CONDITION OR DISEASE PROC, NFKB2, NFKBIA MEN1 1839/4885THRB 2863/4885OPRM1 4773/4885
US-12295957-B2 Ascorbic acid and quinone compounds in combination with an antiparasitic agent for treating a parasitic disease NQO1, ADH7, CYP27B1 MEN1 2407/4885THRB 3967/4885OPRM1 3798/4885
US-20190343794-A1 ASCORBIC ACID AND QUINONE COMPOUNDS FOR TREATING CHAGAS DISEASE NQO1, ADH7, TALDO1 MEN1 2264/4885THRB 3280/4885OPRM1 4233/4885
US-20120184609-A1 VITAMIN C AND VITAMIN K, AND COMPOSITIONS THEREOF FOR TREATMENT OF OSTEOLYSIS OR PROLONGATION OF PROSTHETIC IMPLANT PROC, VKORC1, VKORC1L1 MEN1 2175/4885THRB 2402/4885OPRM1 3036/4885
US-20240398755-A1 ASCORBIC ACID AND QUINONE COMPOUNDS FOR TREATING CHAGAS DISEASE NQO1, ADH7, TALDO1 MEN1 2264/4885THRB 3280/4885OPRM1 4233/4885
US-20140200270-A1 VITAMINS C AND K FOR TREATING POLYCYSTIC DISEASES PROC, PKD1, VKORC1L1 MEN1 527/4885THRB 3383/4885OPRM1 4832/4885

“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.