SCHEMBL4035849

SCHEMBL4035849

O=C(O)CCN(CC(F)(F)F)S(=O)(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.44
HSD11B1 P28845 2/20 0.42
ALDH1A1 P00352 2/20 0.39
ITGAV P06756 1/20 0.37
BDKRB1 P46663 2/20 0.37
RAB9A P51151 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
APEX1 P27695 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4030349 0.85 HTT (0.50) HTTLMNAPKMHSD11B1GAA
SCHEMBL3439979 0.81 MCOLN3 (0.55) HTTLMNAMCOLN3HSD11B1ALDH1A1
SCHEMBL4036166 0.76 HTT (0.49) HTTLMNAPKMMCOLN3HSD11B1
SCHEMBL5111158 0.76 MCOLN3 (0.52) HTTLMNAMCOLN3HSD11B1ALDH1A1
SCHEMBL5115197 0.75 MCOLN3 (0.51) HTTMCOLN3HSD11B1ALDH1A1BDKRB1
Trifluoroacetic Acid SCHEMBL5388759 0.72 MCOLN3 (0.48) HTTLMNAMCOLN3HSD11B1ALDH1A1
SCHEMBL10455037 0.70 MCOLN3 (0.54) HTTLMNAMCOLN3HSD11B1ALDH1A1
SCHEMBL3440213 0.70 MCOLN3 (0.48) HTTMCOLN3HSD11B1ALDH1A1BDKRB1
SCHEMBL5393186 0.70 MCOLN3 (0.51) HTTLMNAMCOLN3HSD11B1ALDH1A1
SCHEMBL12916500 0.70 FABP4 (0.51) LMNAALDH1A1ITGAVAPEX1TDP1

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 2903/4885LMNA 4632/4885PKM 3172/4885

“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.