SCHEMBL4252124

SCHEMBL4252124

CC(S)C(N)CCS(=O)(=O)O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 16/20 0.48
PTGS1 P23219 1/20 0.37
PDE4A P27815 1/20 0.37
LMNA P02545 1/20 0.37
SLC6A6 P31641 1/20 0.37
CYP2C19 P33261 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL3626027 0.82 ENPEP (0.43) ENPEPLMNASLC6A6CYP2C19BLM
SCHEMBL4244376 0.80 ENPEP (0.43) ENPEP
SCHEMBL6777902 0.78 ENPEP (0.41) ENPEPPTGS1PDE4ALMNASLC6A6
SCHEMBL28788386 0.77 PTGS1 (0.40) ENPEPPTGS1PDE4ALMNASLC6A6
SCHEMBL2167512 0.77 ENPEP (0.43) ENPEPLMNASLC6A6CYP2C19BLM
SCHEMBL2168649 0.77 ENPEP (0.43) ENPEPLMNASLC6A6CYP2C19BLM
SCHEMBL2168652 0.77 ENPEP (0.43) ENPEPLMNASLC6A6CYP2C19BLM
SCHEMBL11565955 0.77
SCHEMBL356494 0.77
SCHEMBL21623887 0.77

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-7582797-B2 Derivatives of 4,4′-dithiobis-(3-aminobutane-1-sulfonates) and compositions comprising the same INSTITUTE NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2009-09-01 US disclosed
US-20060205695-A1 Novel derivatives of 4,4' dithiobis-(3-aminobutane-1-1-sulfonates) and compositions comprising the same INSTITUT NATINAL DE LA SANTE ET DE LA RECHERECHE (INSERM) (FR) 2006-09-14 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060205695-A1 Novel derivatives of 4,4' dithiobis-(3-aminobutane-1-1-sulfonates) and compositions comprising the same AGTR1, AGTR2, AGT ENPEP 1846/4885PTGS1 13/4885PDE4A 287/4885

“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.