Ethane Dimethane Sulfonate

Ethane Dimethane Sulfonate

SCHEMBL4154177

C=C.C=C.C=C.C=C.C=C.C=C.CS(=O)(=O)OCCOS(C)(=O)=O

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.67
TSHR P16473 2/20 0.67
ALDH1A1 P00352 2/20 0.67
KDM4E B2RXH2 2/20 0.67
LMNA P02545 1/20 0.67
MMP9 P14780 1/20 0.67
ALOX15 P16050 1/20 0.67
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CYP3A4 P08684 1/20 0.31
CA9 Q16790 1/20 0.30

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
Ethane Dimethane Sulfonate SCHEMBL4143911 1.00 USP2 (0.67) USP2TSHRALDH1A1KDM4ELMNA
Ethane Dimethane Sulfonate SCHEMBL4148513 1.00 USP2 (0.67) USP2TSHRALDH1A1KDM4ELMNA
Ethane Dimethane Sulfonate SCHEMBL4149477 1.00 USP2 (0.67) USP2TSHRALDH1A1KDM4ELMNA
Ethane Dimethane Sulfonate SCHEMBL4140371 1.00 USP2 (0.67) USP2TSHRALDH1A1KDM4ELMNA
Ethane Dimethane Sulfonate SCHEMBL1336145 0.93 USP2 (0.75) USP2TSHRALDH1A1KDM4ELMNA
Ethylene SCHEMBL661376 0.89 USP2 (0.55) USP2TSHRALDH1A1KDM4ELMNA
Ethylene SCHEMBL661020 0.89 USP2 (0.55) USP2TSHRALDH1A1KDM4ELMNA
Ethylene SCHEMBL875175 0.89 USP2 (0.55) USP2TSHRALDH1A1KDM4ELMNA
SCHEMBL1759367 0.85
SCHEMBL4154180 0.84 USP2 (0.63) USP2TSHRALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1273917-B1 Acridinium ester labels having hydrophilic modifiers SIEMENS HEALTHCARE DIAGNOSTICS (US) 2014-05-07 EP disclosed
US-8710097-B2 Flavonoid dimers and methods of making and using such THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2014-04-29 US disclosed
US-20090197943-A1 Flavonoid Dimers and Methods of Making and Using Such THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2009-08-06 US disclosed
EP-2029568-A1 FLAVONOID DIMERS AND METHODS OF MAKING AND USING SUCH The Hong Kong Polytechnic University (CN) 2009-03-04 EP disclosed
WO-2007135592-A1 FLAVONOID DIMERS AND METHODS OF MAKING AND USING SUCH THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2007-11-29 WO disclosed
US-6664043-B2 Detectable chemiluminescent acridinium ester label, comprising an acridinium ester with a hydrophilic modifier BAYER CORPORATION 2003-12-16 US disclosed
US-20030045716-A1 Acridinium ester labels having hydrophilic modifiers SIEMENS HEALTHCARE DIAGNOSTICS INC. 2003-03-06 US disclosed
EP-1273917-A2 Acridinium ester labels having hydrophilic modifiers Bayer Corporation (US) 2003-01-08 EP 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 (2 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-20030045716-A1 Acridinium ester labels having hydrophilic modifiers SRM, SMS, ACR USP2 2452/4885TSHR 664/4885ALDH1A1 865/4885
US-20090197943-A1 Flavonoid Dimers and Methods of Making and Using Such ABCB1, ABCC1, SLC47A2 USP2 3690/4885TSHR 4591/4885ALDH1A1 3003/4885

“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.