SCHEMBL4033897

SCHEMBL4033897

CN(CCO)S(=O)(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 1/20 0.46
CCR6 P51684 1/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
BDKRB1 P46663 1/20 0.40
NR1H4 Q96RI1 3/20 0.39
C1R P00736 1/20 0.38
PRSS1 P07477 1/20 0.38
HSD11B1 P28845 1/20 0.38
DAGLA Q9Y4D2 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
VCAM1 P19320 2/20 0.36
ESR1 P03372 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
SCHEMBL4033271 0.82 MCOLN3 (0.55) GSTO1KMT2AALDH1A1RXFP1KDM4E
SCHEMBL4032633 0.82 HTT (0.48) ALDH1A1KDM4EBDKRB1NR1H4DAGLA
SCHEMBL4031734 0.81 GSTO1 (0.54) GSTO1KMT2AALDH1A1RXFP1KDM4E
SCHEMBL5124229 0.79 GAA (0.48) ALDH1A1BDKRB1NR1H4DAGLAVCAM1
SCHEMBL5803141 0.79 VCAM1 (0.39) GSTO1KMT2AMEN1BDKRB1NR1H4
SCHEMBL20721264 0.79 CCR6 (0.47) GSTO1CCR6KMT2AALDH1A1RXFP1
SCHEMBL3993365 0.78 GSTO1 (0.42) GSTO1CCR6KMT2AALDH1A1RXFP1
SCHEMBL493618 0.76 BDKRB1 (0.53) KMT2AALDH1A1BDKRB1NR1H4DAGLA
SCHEMBL11576737 0.74 CA12 (0.59) KMT2AALDH1A1RXFP1KDM4EMEN1
SCHEMBL5800952 0.73 L3MBTL1 (0.44) KMT2AALDH1A1BDKRB1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521744-B1 ARYLSULPHONAMIDE DERIVATIVES AND USE THEREOF AS B1 BRADYKININ RECEPTOR ANTAGONISTS FOURNIER LAB SA (FR) 2009-04-01 EP disclosed
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
EP-1521744-A1 ARYLSULPHONAMIDE DERIVATIVES AND USE THEREOF AS B1 BRADYKININ RECEPTOR ANTAGONISTS LABORATOIRES FOURNIER S.A. (FR) 2005-04-13 EP disclosed
WO-2003106428-A1 NOVEL ARYLSULPHONAMIDE DERIVATIVES AND USE THEREOF AS THERAPEUTIC AGENTS LABORATOIRES FOURNIER SA (FR) 2003-12-24 WO 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 GSTO1 392/4885CCR6 1502/4885KMT2A 3755/4885

“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.