SCHEMBL5124229

SCHEMBL5124229

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

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
NR1H4 Q96RI1 4/20 0.45
HTT P42858 1/20 0.42
DAGLA Q9Y4D2 2/20 0.41
VCAM1 P19320 1/20 0.39
BDKRB1 P46663 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL4032633 0.90 HTT (0.48) GAANR1H4HTTDAGLABDKRB1
SCHEMBL5803141 0.89 VCAM1 (0.39) GAANR1H4HTTDAGLAVCAM1
SCHEMBL642948 0.86 GAA (0.48) GAAHTTVCAM1ALDH1A1L3MBTL1
SCHEMBL5115197 0.85 MCOLN3 (0.51) GAAHTTVCAM1BDKRB1ALDH1A1
SCHEMBL5117215 0.84 HTT (0.56) GAAHTTALDH1A1L3MBTL1
SCHEMBL644589 0.84 GAA (0.47) GAAVCAM1ALDH1A1L3MBTL1
SCHEMBL5118024 0.83 NR1H4 (0.48) GAANR1H4HTTDAGLA
SCHEMBL5800952 0.83 L3MBTL1 (0.44) HTTBDKRB1ALDH1A1L3MBTL1
SCHEMBL5111158 0.81 MCOLN3 (0.52) GAAHTTBDKRB1ALDH1A1L3MBTL1
SCHEMBL5114179 0.79 PSEN1 (0.44) GAANR1H4HTTDAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060217362-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2006-09-28 US claimed
WO-2006071775-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-07-06 WO claimed
US-7361687-B2 Arylsulphonamide derivatives and methods of preparing LABORATOIRES FOURNIER SA (FR) 2008-04-22 US disclosed
US-20060217362-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2006-09-28 US disclosed
WO-2006071775-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-07-06 WO 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 (2 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 GAA 215/4885NR1H4 15/4885HTT 2903/4885
US-20060217362-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 GAA 3390/4885NR1H4 314/4885HTT 3088/4885

“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.