SCHEMBL4028829

SCHEMBL4028829

COc1cc(C)c(S(=O)(=O)N(C)CCCCC(=O)N(C)Cc2ccc(C3=NCCN3)cc2)c(C)c1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 15/20 0.78
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
NISCH Q9Y2I1 1/20 0.40
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL4031819 0.94 BDKRB1 (0.81) BDKRB1NISCHKDM4E
SCHEMBL4036489 0.90 BDKRB1 (0.79) BDKRB1BCHEACHENISCH
SCHEMBL4029122 0.88 BDKRB1 (0.61) BDKRB1NISCH
Safotibant SCHEMBL1723565 0.88 BDKRB1 (1.00) BDKRB1
SCHEMBL4028826 0.85 BDKRB1 (0.61) BDKRB1NISCH
SCHEMBL4033660 0.85 BDKRB1 (0.79) BDKRB1BCHEACHENISCH
SCHEMBL4032314 0.83 BDKRB1 (0.75) BDKRB1
SCHEMBL4029103 0.83 BDKRB1 (0.63) BDKRB1BCHEACHENISCH
SCHEMBL4192369 0.83 BDKRB1 (0.65) BDKRB1NISCH
SCHEMBL5401872 0.82 BDKRB1 (0.57) BDKRB1NISCH

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
US-7361687-B2 Arylsulphonamide derivatives and methods of preparing LABORATOIRES FOURNIER SA (FR) 2008-04-22 US claimed
US-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents LABORATOIRES FOURNIER SA (FR) 2006-04-20 US claimed
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

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 BDKRB1 1217/4885BCHE 3422/4885ACHE 4862/4885

“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.