SCHEMBL708525

SCHEMBL708525

CC1(c2cccc3ccccc23)S(=O)(=O)OCCOS1(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.43
SLC6A2 P23975 6/20 0.43
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A4 P31645 7/20 0.40
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.33
CYP2A6 P11509 1/20 0.33
KIF11 P52732 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CYP2D6 P10635 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL7061778 0.67 SLC6A3 (0.43) SLC6A3SLC6A2MAPTMEN1KMT2A
SCHEMBL28240863 0.65 MEN1 (0.53) SLC6A3SLC6A2MAPTMEN1KMT2A
SCHEMBL7464714 0.65 SLC6A3 (0.59) SLC6A3SLC6A2MAPTMEN1KMT2A
SCHEMBL26967577 0.65 KDM4E (0.41) SLC6A3SLC6A2MAPTMEN1KMT2A
SCHEMBL5240613 0.63 SLC6A3 (0.58) SLC6A3SLC6A2MAPTMEN1KMT2A
SCHEMBL29137626 0.63 SLC6A3 (0.38) SLC6A3SLC6A2MAPTMEN1KMT2A
SCHEMBL8752796 0.62 MAPT (0.40) SLC6A3SLC6A2MAPTMEN1KMT2A
SCHEMBL577013 0.62 SLC6A3 (0.43) SLC6A3SLC6A2MAPTMEN1KMT2A
SCHEMBL706765 0.62 NR4A1 (0.42) SLC6A3SLC6A2MAPTMEN1KMT2A
SCHEMBL31616911 0.62 MAPT (0.43) MAPTMEN1KMT2AKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124793-B2 Derivatives of ethylene methanedisulfonate as cancer chemotherapeutic agents CRONYN MARSHALL W (US) 2012-02-28 US disclosed
US-20090176805-A1 DERIVATIVES OF ETHYLENE METHANEDISULFONATE AS CANCER CHEMOTHERAPEUTIC AGENTS CRONYN MARSHALL W 2009-07-09 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-20090176805-A1 DERIVATIVES OF ETHYLENE METHANEDISULFONATE AS CANCER CHEMOTHERAPEUTIC AGENTS MGMT, ETV6, EI24 SLC6A3 3311/4885SLC6A2 4689/4885MAPT 4552/4885

“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.