SCHEMBL5117215

SCHEMBL5117215

CN(CCCCC(=O)O)S(=O)(=O)c1ccccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
GAA P10253 1/20 0.47
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PGR P06401 1/20 0.43
FABP4 P15090 1/20 0.42
GSTO1 P78417 2/20 0.41
MCOLN3 Q8TDD5 1/20 0.40
HCRTR2 O43614 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD11B1 P28845 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL5115197 0.89 MCOLN3 (0.51) HTTGAAALDH1A1L3MBTL1FABP4
SCHEMBL5111158 0.85 MCOLN3 (0.52) HTTGAAALDH1A1L3MBTL1FABP4
SCHEMBL5124229 0.84 GAA (0.48) HTTGAAALDH1A1L3MBTL1
SCHEMBL5125937 0.81 KEAP1 (0.52) GAAL3MBTL1HTR2AHTR2CKDM4E
SCHEMBL5113644 0.80 BDKRB1 (0.52) HTTGAAALDH1A1L3MBTL1FABP4
SCHEMBL600069 0.80 GAA (0.58) GAAALDH1A1HSD11B1
SCHEMBL14034060 0.80 ALDH1A1 (0.56) HTTGAAALDH1A1L3MBTL1GSTO1
SCHEMBL4031734 0.79 GSTO1 (0.54) HTTALDH1A1L3MBTL1PGRGSTO1
SCHEMBL5125364 0.79 HTT (0.52) HTTALDH1A1FABP4MEN1KMT2A
SCHEMBL3439979 0.79 MCOLN3 (0.55) HTTGAAALDH1A1L3MBTL1GSTO1

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 HTT 2903/4885GAA 215/4885ALDH1A1 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.