SCHEMBL4036166

SCHEMBL4036166

CC(C)N(CCC(=O)O)S(=O)(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
HSD11B1 P28845 1/20 0.44
TRPV4 Q9HBA0 1/20 0.42
ITGAV P06756 2/20 0.41
NR1H4 Q96RI1 3/20 0.41
NR3C1 P04150 1/20 0.39
CDC25A P30304 2/20 0.38
CDC25B P30305 2/20 0.38
ALDH1A1 P00352 1/20 0.38
APEX1 P27695 1/20 0.37
LMNA P02545 1/20 0.36
PKM P14618 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
SCHEMBL4032663 0.85 NR1H4 (0.51) HTTHSD11B1TRPV4NR1H4LMNA
SCHEMBL3439979 0.83 MCOLN3 (0.55) HTTMCOLN3HSD11B1ITGAVALDH1A1
SCHEMBL5111158 0.78 MCOLN3 (0.52) HTTMCOLN3HSD11B1CDC25ACDC25B
SCHEMBL5115197 0.77 MCOLN3 (0.51) HTTMCOLN3HSD11B1CDC25ACDC25B
SCHEMBL4035849 0.76 HTT (0.56) HTTMCOLN3HSD11B1ITGAVALDH1A1
SCHEMBL5118024 0.76 NR1H4 (0.48) HTTHSD11B1NR1H4LMNAPKM
SCHEMBL6184837 0.73 MCOLN3 (0.56) MCOLN3HSD11B1ITGAVNR1H4NR3C1
SCHEMBL22467155 0.73 TP53 (0.41) HTTHSD11B1ALDH1A1
SCHEMBL5111771 0.73 MCOLN3 (0.49) HTTMCOLN3HSD11B1ITGAVNR1H4
SCHEMBL3440213 0.72 MCOLN3 (0.48) HTTMCOLN3HSD11B1ALDH1A1

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 HTT 2903/4885MCOLN3 4434/4885HSD11B1 521/4885

“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.