SCHEMBL5125397

SCHEMBL5125397

CN(CCOCC(=O)O)S(=O)(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 7/20 0.55
MCOLN3 Q8TDD5 1/20 0.49
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GSTO1 P78417 2/20 0.40
KMT2A Q03164 2/20 0.39
HSD11B1 P28845 1/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL5114284 0.90 HTT (0.48) BDKRB1ALDH1A1L3MBTL1GSTO1HSD11B1
SCHEMBL493618 0.86 BDKRB1 (0.53) BDKRB1ALDH1A1KMT2AHTTLMNA
SCHEMBL4464906 0.84 BDKRB1 (0.56) BDKRB1ALDH1A1L3MBTL1GSTO1HTT
SCHEMBL3439979 0.83 MCOLN3 (0.55) BDKRB1MCOLN3ALDH1A1L3MBTL1GSTO1
SCHEMBL5117999 0.82 BDKRB1 (0.42) BDKRB1MCOLN3KMT2AHSD11B1HTT
SCHEMBL5111158 0.81 MCOLN3 (0.52) BDKRB1MCOLN3ALDH1A1L3MBTL1GSTO1
SCHEMBL493089 0.80 ALDH1A1 (0.52) BDKRB1ALDH1A1L3MBTL1GSTO1PTGDR2
SCHEMBL5111771 0.80 MCOLN3 (0.49) BDKRB1MCOLN3ALDH1A1L3MBTL1KMT2A
SCHEMBL5115197 0.80 MCOLN3 (0.51) BDKRB1MCOLN3ALDH1A1L3MBTL1GSTO1
SCHEMBL4033271 0.78 MCOLN3 (0.55) BDKRB1MCOLN3ALDH1A1L3MBTL1GSTO1

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 BDKRB1 1217/4885MCOLN3 4434/4885ALDH1A1 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.