SCHEMBL4247113

SCHEMBL4247113

NC(CCS(=O)(=O)O)C(S)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 4/20 0.46
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
LAP3 P28838 4/20 0.41
ANPEP P15144 2/20 0.40
EPHX1 P07099 2/20 0.40

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
SCHEMBL4245142 0.86 S1PR2 (0.45) ENPEPANPEP
SCHEMBL4248108 0.86 S1PR2 (0.45) ENPEPANPEP
SCHEMBL4242763 0.86 S1PR2 (0.45) ENPEPANPEP
SCHEMBL4250067 0.86 S1PR2 (0.45) ENPEPANPEP
SCHEMBL4250599 0.86 S1PR2 (0.45) ENPEPANPEP
SCHEMBL4243992 0.81 ENPEP (0.41) ENPEP
SCHEMBL352772 0.80 EPHX1 (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27720875 0.80 EPHX1 (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27700318 0.80 EPHX1 (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5739019 0.75 S1PR2 (0.46) ANPEP

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 1846/4885ALPI 2685/4885PKM 1853/4885

“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.