SCHEMBL4464906

SCHEMBL4464906

Cc1c(Cl)ccc(S(=O)(=O)N(C)CCOCC(=O)O)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 10/20 0.56
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GSTO1 P78417 3/20 0.42
WDR5 P61964 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 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
SCHEMBL15577095 0.90 BDKRB1 (0.56) BDKRB1ALDH1A1L3MBTL1GSTO1WDR5
SCHEMBL5125397 0.84 BDKRB1 (0.55) BDKRB1ALDH1A1L3MBTL1GSTO1PTGDR2
SCHEMBL4032501 0.83 BDKRB1 (0.53) BDKRB1ALDH1A1L3MBTL1GSTO1WDR5
SCHEMBL493089 0.81 ALDH1A1 (0.52) BDKRB1ALDH1A1L3MBTL1GSTO1PTGDR2
SCHEMBL5114455 0.81 BDKRB1 (0.45) BDKRB1ALDH1A1LMNAHTTPOLB
SCHEMBL5118922 0.81 BDKRB1 (0.55) BDKRB1ALDH1A1L3MBTL1GSTO1WDR5
SCHEMBL5114284 0.81 HTT (0.48) BDKRB1ALDH1A1L3MBTL1GSTO1KDM4E
SCHEMBL5113644 0.80 BDKRB1 (0.52) BDKRB1ALDH1A1L3MBTL1GSTO1WDR5
SCHEMBL14033580 0.79 ALDH1A1 (0.43) BDKRB1ALDH1A1L3MBTL1GSTO1PTGDR2
SCHEMBL14034027 0.79 ALDH1A1 (0.40) BDKRB1ALDH1A1L3MBTL1GSTO1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538111-B2 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LABORATOIRES FOURNIER S.A. (FR) 2009-05-26 US disclosed
US-7361687-B2 Arylsulphonamide derivatives and methods of preparing LABORATOIRES FOURNIER SA (FR) 2008-04-22 US disclosed
US-20060178360-A1 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LABORATOIRES FOURNIER S.A. (FR) 2006-08-10 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 (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-20060178360-A1 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LTB4R2, BDKRB2, TBXA2R BDKRB1 11/4885ALDH1A1 283/4885L3MBTL1 4617/4885
US-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents UGT1A1, UGT2B7, UGT1A6 BDKRB1 1217/4885ALDH1A1 73/4885L3MBTL1 4830/4885

“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.