SCHEMBL5114090

SCHEMBL5114090

COc1ccc(S(=O)(=O)N(C)CCCCC(=O)N(C)Cc2ccc(C3=NCCN3C(=O)O)cc2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 10/20 0.55
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
ACLY P53396 1/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL5119278 0.92 BDKRB1 (0.54) BDKRB1BCHEACHEALDH1A1HTT
SCHEMBL5117869 0.91 BDKRB1 (0.50) BDKRB1TP53ALDH1A1
SCHEMBL5118248 0.89 BDKRB1 (0.43) BDKRB1BCHEACHEALDH1A1HTT
SCHEMBL5125633 0.89 BDKRB1 (0.70) BDKRB1ACLYTP53ALDH1A1HTT
SCHEMBL5126485 0.87 BDKRB1 (0.49) BDKRB1BCHEACHETP53HTT
SCHEMBL5124683 0.87 BDKRB1 (0.49) BDKRB1TP53
SCHEMBL5118568 0.87 BDKRB1 (0.57) BDKRB1TP53
SCHEMBL5114092 0.86 BDKRB1 (0.43) BDKRB1BCHEACHETP53ALDH1A1
SCHEMBL5118277 0.85 BDKRB1 (0.66) BDKRB1TP53
SCHEMBL5111773 0.85 BDKRB1 (0.53) BDKRB1BCHEACHE

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 2 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 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.