SCHEMBL5501969

SCHEMBL5501969

CCC(CCCO)CNS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
TBXAS1 P24557 4/20 0.50
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TBXA2R P21731 1/20 0.47
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 4/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
XBP1 P17861 1/20 0.43
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL5502622 0.96 CA1 (0.52) CA1CA2TBXAS1ALDH1A1MEN1
SCHEMBL5498984 0.83 CA1 (0.60) CA1CA2TBXAS1ALDH1A1MEN1
SCHEMBL6986603 0.78 KMT2A (0.52) ALDH1A1MEN1KMT2AHTTTSHR
SCHEMBL3469704 0.76 GBA1 (0.55) CA2ALDH1A1MEN1KMT2ANPSR1
SCHEMBL11136790 0.75 CA12 (0.56) CA1CA2ALDH1A1NPSR1TSHR
SCHEMBL9592034 0.75 GBA1 (0.54) CA1CA2TBXAS1ALDH1A1MEN1
SCHEMBL6988610 0.74 KMT2A (0.51) ALDH1A1MEN1KMT2AHTTTSHR
SCHEMBL226294 0.74 ALDH1A1 (0.51) ALDH1A1KMT2AHTTNPSR1TSHR
SCHEMBL7202062 0.74 CYP2C9 (0.50) ALDH1A1MEN1KMT2AHTTTSHR
SCHEMBL29187835 0.73 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AHTTNPSR1

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
EP-1549306-A4 SUBSTITUTED PHENYLSULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION WYETH CORP (US) 2007-06-06 EP claimed
EP-1549306-A1 SUBSTITUTED PHENYLSULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION Wyeth (US) 2005-07-06 EP claimed
WO-2003103660-A1 SUBSTITUTED PHENYLSULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION WYETH (US) 2003-12-18 WO claimed
EP-1549306-A4 SUBSTITUTED PHENYLSULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION WYETH CORP (US) 2007-06-06 EP disclosed
EP-1549306-A1 SUBSTITUTED PHENYLSULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION Wyeth (US) 2005-07-06 EP disclosed
WO-2003103660-A1 SUBSTITUTED PHENYLSULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION WYETH (US) 2003-12-18 WO disclosed