2,2'-Dithiodiethanesulfonic Acid — predicted protein targets

Known targets — ChEMBL curated mechanism

ABCC8 ACE ADORA1 ADORA2A ADORA2B ADORA3 ALDH5A1 ALOX5 ALOX5AP ATP4A ATP4B BRAF CA1 CA12 CA2 CA4 CYSLTR1 DHFR DPEP1 EDNRA EDNRB ESR2 F10 FDPS FGF1 GABBR1 GABBR2 GABRA1 GABRA2 GABRA3 GABRA4 GABRA5 GABRA6 GABRB1 GABRB2 GABRB3 GABRD GABRE GABRG1 GABRG2 GABRG3 GABRP GABRQ GART GNRHR GSC1 HMGCR IMPDH1 IMPDH2 KCNJ11 LY96 NOD2 NR3C1 NS3 NS4A NS5b P2RY1 P2RY12 P2RY2 P2RY4 P2RY6 PBP2X PDE3A PDE3B PDE4A PDE4B PDE4C PDE4D PDK1 PDK2 PDK3 PDK4 PPARG PPAT PTGIR PTGS1 PTGS2 RAF1 RYR1 RYR3 SCN10A SCN11A SCN1A SCN2A SCN3A SCN4A SCN5A SCN7A SCN8A SCN9A SERPINC1 SLC12A1 SLC12A3 SYK THRA THRB TLR3 TLR4 TLR9 TUBA1A TUBA1B TUBA1C TUBA3C TUBA3E TUBA4A TUBB TUBB1 TUBB2A TUBB2B TUBB3 TUBB4A TUBB4B TUBB6 TUBB8 TYMS VKORC1 XDH bla blaIMP-1 blaOXA-33 blaOXA-58 blaT-3 blaT-4 blaT-5 blaT-6 dacA dacB dacC folA folP folP1 ftsI fusA gag gyrA gyrB mecA mrcA mrcB mrdA pbp1a pbp1b pbp2 pbp2a pbp2b pbp3 pbp4 pbpA pbpB pbpC pbpF pol ponB rplA rplB rplC rplD rplE rplF rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmC rpmD rpmE rpmF rpmG rpmH rpmI rpmJ rpoA rpoB rpoC rpoZ rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsS rpsT rpsU ykgM ykgO

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 19)

	gene	UniProt	supporting neighbours	confidence
▸	CA1 known ✓	P00915	1/20	0.31

▸	CA2 known ✓	P00918	1/20	0.31

▸	KDM4E	B2RXH2	1/20	0.48

▸	MAPT	P10636	1/20	0.48

▸	ALOX15	P16050	1/20	0.48

▸	ALDH1A1	P00352	2/20	0.43

▸	TSHR	P16473	2/20	0.43

▸	GMNN	O75496	1/20	0.43

▸	LMNA	P02545	1/20	0.43

▸	TP53	P04637	1/20	0.43

▸	MAPK1	P28482	1/20	0.43

▸	THPO	P40225	1/20	0.43

▸	HBB	P68871	1/20	0.43

▸	PMP22	Q01453	1/20	0.43

▸	SMN1; SMN2	Q16637	1/20	0.43

▸	BBOX1	O75936	3/20	0.36

▸	ENPEP	Q07075	2/20	0.36

▸	MEN1	O00255	1/20	0.32

▸	KMT2A	Q03164	1/20	0.32

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.

Compound	similarity	top predicted	shared targets
2,2'-Dithiodiethanesulfonic Acid SCHEMBL18847	1.00	KDM4E (0.48)	KDM4EMAPTALOX15ALDH1A1TSHR
2,2'-Dithiodiethanesulfonic Acid SCHEMBL835873	0.97	KDM4E (0.46)	KDM4EMAPTALOX15ALDH1A1TSHR
2,2'-Dithiodiethanesulfonic Acid SCHEMBL8403162	0.97	KDM4E (0.46)	KDM4EMAPTALOX15ALDH1A1TSHR
2,2'-Dithiodiethanesulfonic Acid SCHEMBL835186	0.94	KDM4E (0.41)	KDM4EMAPTALOX15ALDH1A1TSHR
2,2'-Dithiodiethanesulfonic Acid SCHEMBL835426	0.94	KDM4E (0.41)	KDM4EMAPTALOX15ALDH1A1TSHR
2,2'-Dithiodiethanesulfonic Acid SCHEMBL837033	0.94	KDM4E (0.41)	KDM4EMAPTALOX15ALDH1A1TSHR
2,2'-Dithiodiethanesulfonic Acid SCHEMBL834471	0.94	KDM4E (0.41)	KDM4EMAPTALOX15ALDH1A1TSHR
SCHEMBL8459850	0.87	BBOX1 (0.39)	KDM4EMAPTALOX15ALDH1A1TSHR
2,2'-Dithiodiethanesulfonic Acid SCHEMBL7050821	0.87	KDM4E (0.39)	KDM4EMAPTALOX15ALDH1A1TSHR
2,2'-Dithiodiethanesulfonic Acid SCHEMBL834581	0.87	KDM4E (0.39)	KDM4EMAPTALOX15ALDH1A1TSHR

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
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
WO-2009113984-A1	CHEMOPROTECTIVE METHODS AND COMPOSITIONS	BIONUMERIK PHARMACEUTICALS, INC. (US)	2009-09-17	—	—	WO	disclosed
EP-1991237-A2	CHEMOPROTECTIVE METHODS AND COMPOSITIONS	BIONUMERIK PHARMACEUTICALS, INC. (US)	2008-11-19	—	—	EP	disclosed
US-20080193498-A1	Chemoprotective methods and compositions	BIONUMERIK PHARMACEUTICALS, INC.	2008-08-14	—	—	US	disclosed
WO-2007070599-A2	CHEMOPROTECTIVE METHODS AND COMPOSITIONS	BIONUMERIK PHARMACEUTICALS, INC. (US)	2007-06-21	—	—	WO	disclosed
US-20070135519-A1	Chemoprotective methods and compositions	BIONUMERIK PHARMACEUTICALS, INC.	2007-06-14	—	—	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.

Patent	Title	Text reads most about	Predicted target · text-rank
US-20080193498-A1	Chemoprotective methods and compositions	GPX1, MGMT, GPX4	CA1 361/4885CA2 1122/4885KDM4E 4489/4885

“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.