SCHEMBL5118895

SCHEMBL5118895

CN(C/C=C/C(=O)O)S(=O)(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 1/20 0.51
BDKRB1 P46663 2/20 0.42
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD11B1 P28845 1/20 0.38
ITGAV P06756 1/20 0.36
TSHR P16473 2/20 0.35
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
HTT P42858 2/20 0.34
PTGS2 P35354 1/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL5115163 0.89 HTT (0.44) MCOLN3BDKRB1ALDH1A1L3MBTL1HSD11B1
SCHEMBL5115181 0.85 NR1H4 (0.40) MCOLN3BDKRB1ALDH1A1L3MBTL1LMNA
SCHEMBL5118257 0.83 BDKRB1 (0.57) MCOLN3BDKRB1ALDH1A1L3MBTL1HTT
SCHEMBL5125648 0.79 KEAP1 (0.49) ALDH1A1TSHR
SCHEMBL5125650 0.79 KEAP1 (0.49) ALDH1A1TSHR
SCHEMBL3439979 0.77 MCOLN3 (0.55) MCOLN3BDKRB1ALDH1A1L3MBTL1HSD11B1
SCHEMBL5115358 0.75 RAB9A (0.56) BDKRB1ALDH1A1L3MBTL1HSD11B1MEN1
SCHEMBL5115360 0.75 RAB9A (0.56) BDKRB1ALDH1A1L3MBTL1HSD11B1MEN1
SCHEMBL6184837 0.75 MCOLN3 (0.56) MCOLN3BDKRB1ALDH1A1L3MBTL1HSD11B1
SCHEMBL5111158 0.75 MCOLN3 (0.52) MCOLN3BDKRB1ALDH1A1L3MBTL1HSD11B1

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-7361687-B2 Arylsulphonamide derivatives and methods of preparing LABORATOIRES FOURNIER SA (FR) 2008-04-22 US disclosed
US-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents LABORATOIRES FOURNIER SA (FR) 2006-04-20 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-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents UGT1A1, UGT2B7, UGT1A6 MCOLN3 4434/4885BDKRB1 1217/4885ALDH1A1 73/4885

“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.