2,2'-Dithiodiethanesulfonic Acid

2,2'-Dithiodiethanesulfonic Acid

SCHEMBL834471

O=S(=O)([O-])CCSSCCS(=O)(=O)[O-].[Ca+2]

nearest known ligand 0.41

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Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of 2,2'-Dithiodiethanesulfonic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
GMNN O75496 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
THPO P40225 1/20 0.38
HBB P68871 1/20 0.38
PMP22 Q01453 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BBOX1 O75936 3/20 0.36
ENPEP Q07075 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 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
2,2'-Dithiodiethanesulfonic Acid SCHEMBL18847 0.94 KDM4E (0.48) KDM4EMAPTALOX15GMNNALDH1A1
2,2'-Dithiodiethanesulfonic Acid SCHEMBL835426 0.94 KDM4E (0.41) KDM4EMAPTALOX15GMNNALDH1A1
2,2'-Dithiodiethanesulfonic Acid SCHEMBL835029 0.94 KDM4E (0.48) KDM4EMAPTALOX15GMNNALDH1A1
2,2'-Dithiodiethanesulfonic Acid SCHEMBL837033 0.94 KDM4E (0.41) KDM4EMAPTALOX15GMNNALDH1A1
2,2'-Dithiodiethanesulfonic Acid SCHEMBL835186 0.94 KDM4E (0.41) KDM4EMAPTALOX15GMNNALDH1A1
2,2'-Dithiodiethanesulfonic Acid SCHEMBL835873 0.91 KDM4E (0.46) KDM4EMAPTALOX15GMNNALDH1A1
2,2'-Dithiodiethanesulfonic Acid SCHEMBL8403162 0.91 KDM4E (0.46) KDM4EMAPTALOX15GMNNALDH1A1
2,2'-Dithiodiethanesulfonic Acid SCHEMBL834581 0.82 KDM4E (0.39) KDM4EMAPTALOX15GMNNALDH1A1
SCHEMBL8459850 0.82 BBOX1 (0.39) KDM4EMAPTALOX15GMNNALDH1A1
2,2'-Dithiodiethanesulfonic Acid SCHEMBL7050821 0.82 KDM4E (0.39) KDM4EMAPTALOX15GMNNALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5902610-A ADMINISTERING WITH OR WITHOUT CISPLATIN IN THE SAME FORMULATION, TO REDUCE TOXIC SIDE EFFECTS OF CISPLATIN IN CANCER THERAPY AND POTENTIATE ITS ANTITUMOR ACTIVITY BIONUMERIK PHARMACEUTICALS, INC. (US) 1999-05-11 US claimed
US-20230220481-A1 Method for Determining Sensitivity to 2,2'-Dithio-bis-Ethane Sulfonate LANTERN PHARMA INC. 2023-07-13 US disclosed
CN-115397405-A Method for determining sensitivity to 2,2' -dithiobisethane sulfonate 蓝腾制药公司 2022-11-25 CN disclosed
EP-4087609-A1 METHOD FOR DETERMINING SENSITIVITY TO 2,2'-DITHIO-BIS-ETHANE SULFONATE Lantern Pharma Inc. (US) 2022-11-16 EP disclosed
WO-2021142460-A1 METHOD FOR DETERMINING SENSITIVITY TO 2,2'-DITHIO-BIS-ETHANE SULFONATE LANTERN PHARMA INC. (US) 2021-07-15 WO disclosed
EP-1991237-B1 CHEMOPROTECTIVE METHODS AND COMPOSITIONS BIONUMERIK PHARMACEUTICALS INC (US) 2015-02-25 EP disclosed
EP-2252246-B1 CHEMOPROTECTIVE METHODS AND COMPOSITIONS BIONUMERIK PHARMACEUTICALS INC (US) 2014-06-18 EP disclosed
US-8143236-B2 For reducing, preventing, mitigating, and/or delaying the onset of, attenuating the severity of, and/or hastening the resolution of, chemotherapy-associated toxicities; nucleosides BIONUMERIK PHARMACEUTICALS, INC. (US) 2012-03-27 US disclosed
US-8026227-B2 For reducing, preventing, mitigating, and/or delaying the onset of, attenuating the severity of, and/or hastening the resolution of, chemotherapy-associated toxicities; nucleosides BIONUMERIK PHARMACEUTICALS, INC. (US) 2011-09-27 US disclosed
EP-2252246-A1 CHEMOPROTECTIVE METHODS AND COMPOSITIONS BIONUMERIK PHARMACEUTICALS, INC. (US) 2010-11-24 EP disclosed
US-7282602-B2 Medicinal disulfide salts BIONUMERIK PHARMACEUTICALS, INC. (US) 2007-10-16 US disclosed
WO-2007070599-A2 CHEMOPROTECTIVE METHODS AND COMPOSITIONS BIONUMERIK PHARMACEUTICALS, INC. (US) 2007-06-21 WO disclosed
EP-1797031-A1 MEDICINAL DISULFIDE SALTS BIONUMERIK PHARMACEUTICALS, INC. (US) 2007-06-20 EP disclosed
US-20070135519-A1 Chemoprotective methods and compositions BIONUMERIK PHARMACEUTICALS, INC. 2007-06-14 US disclosed
WO-2006034327-A1 MEDICINAL DISULFIDE SALTS BIONUMERIK PHARMACEUTICALS, INC. (US) 2006-03-30 WO disclosed
US-20060063949-A1 Medicinal disulfide salts LANTERN PHARMA INC. 2006-03-23 US disclosed
US-5902610-A ADMINISTERING WITH OR WITHOUT CISPLATIN IN THE SAME FORMULATION, TO REDUCE TOXIC SIDE EFFECTS OF CISPLATIN IN CANCER THERAPY AND POTENTIATE ITS ANTITUMOR ACTIVITY BIONUMERIK PHARMACEUTICALS, INC. (US) 1999-05-11 US disclosed
US-5866617-A AQUEOUS SOLUTION FOR ADMINISTRATION TO PATIENTS ALSO RECEIVING CISPLATIN; REDUCED SIDE EFFECTS, INCREASED ANTITUMOR ACTIVITY BIONUMERIK PHARMACEUTICALS, INC. (US) 1999-02-02 US disclosed
US-5866169-A LYOPHILIZED FORMULATION WITH CISPLATIN; REDUCED SIDE EFFECTS, INCREASED ANTITUMOR ACTIVITY BIONUMERIK PHARMACEUTICALS, INC. (US) 1999-02-02 US disclosed
US-5866615-A LYOPHILIZED FORMULATION WITH ANTICANCER AGENTS; REDUCED SIDE EFFECTS, INCREASED ACTIVITY BIONUMERIK PHARMACEUTICALS, INC. (US) 1999-02-02 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-20060063949-A1 Medicinal disulfide salts MPST, TST, STS KDM4E 4330/4885MAPT 2637/4885ALOX15 3523/4885

“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.