SCHEMBL4244376

SCHEMBL4244376

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

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 16/20 0.43
TP53 P04637 1/20 0.32
RNPEP Q9H4A4 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
SCHEMBL4252124 0.80 ENPEP (0.48) ENPEP
SCHEMBL356000 0.76 S1PR2 (0.41) ENPEPTP53
SCHEMBL354858 0.76 S1PR2 (0.41) ENPEPTP53
SCHEMBL6777902 0.76 ENPEP (0.41) ENPEPTP53
SCHEMBL355325 0.76 S1PR2 (0.41) ENPEPTP53
SCHEMBL3626027 0.76 ENPEP (0.43) ENPEPTP53
SCHEMBL8370891 0.71 PTGS1 (0.35) ENPEPTP53RNPEP
SCHEMBL28788386 0.71 PTGS1 (0.40) ENPEP
SCHEMBL2168652 0.71 ENPEP (0.43) ENPEPTP53
SCHEMBL2167512 0.71 ENPEP (0.43) ENPEPTP53

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 1846/4885TP53 3978/4885RNPEP 1896/4885

“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.