SCHEMBL3440425

SCHEMBL3440425

COc1cc(C)c(S(=O)(=O)N(C)CCC(=O)NC2CCCCC2)c(C)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 9/20 0.65
POLB P06746 1/20 0.51
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PKM P14618 1/20 0.50
KMT2A Q03164 2/20 0.49
USP2 O75604 1/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 1/20 0.46
EPHX2 P34913 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL3440450 0.87 BDKRB1 (0.75) BDKRB1MAPT
SCHEMBL3439932 0.87 BDKRB1 (0.65) BDKRB1
SCHEMBL3440328 0.87 BDKRB1 (0.62) BDKRB1MAPT
SCHEMBL12010146 0.87 BDKRB1 (0.62) BDKRB1MAPT
SCHEMBL12010143 0.87 BDKRB1 (0.62) BDKRB1MAPT
SCHEMBL3440348 0.85 BDKRB1 (0.61) BDKRB1MAPT
SCHEMBL3444728 0.84 BDKRB1 (0.60) BDKRB1MAPT
SCHEMBL3440446 0.84 BDKRB1 (0.69) BDKRB1
SCHEMBL3439792 0.84 BDKRB1 (0.59) BDKRB1KMT2A
SCHEMBL3439789 0.83 BDKRB1 (0.76) BDKRB1

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-2402329-A1 Analgetic phenylsulphonamides Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
EP-2284166-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2011-02-16 EP disclosed
WO-2009021758-A1 ARYLSULFONAMIDES HAVING AN ANALGESIC EFFECT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
WO-2009021946-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
EP-2025675-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2009-02-18 EP disclosed
WO-2008022945-A1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 WO disclosed