SCHEMBL4243992

SCHEMBL4243992

NC(CCS(=O)(=O)O)C(S)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 9/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SRC P12931 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
SCHEMBL4247113 0.81 ENPEP (0.46) ENPEP
SCHEMBL10231165 0.79 GBA1 (0.46) ALDH1A1SRC
SCHEMBL4248108 0.76 S1PR2 (0.45) ENPEPALDH1A1KDM4ELMNAMAPT
SCHEMBL4242763 0.76 S1PR2 (0.45) ENPEPALDH1A1KDM4ELMNAMAPT
SCHEMBL4250067 0.76 S1PR2 (0.45) ENPEPALDH1A1KDM4ELMNAMAPT
SCHEMBL4250599 0.76 S1PR2 (0.45) ENPEPALDH1A1KDM4ELMNAMAPT
SCHEMBL4245142 0.76 S1PR2 (0.45) ENPEPALDH1A1KDM4ELMNAMAPT
SCHEMBL21913847 0.76 HRH1 (0.46) ALDH1A1LMNASRC
SCHEMBL6725042 0.75 RIPK1 (0.48) ALDH1A1KDM4EGMNNLMNAPOLB
SCHEMBL11644157 0.73 LMNA (0.52) ALDH1A1KDM4EGMNNLMNAPOLB

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 1846/4885ALDH1A1 224/4885KDM4E 1855/4885

“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.