SCHEMBL6946267

SCHEMBL6946267

O=C(O)[C@@H]1CC(Oc2ccccc2)CN1S(=O)(=O)c1ccc(Cl)c(CBr)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.39
RORC P51449 5/20 0.37
ACLY P53396 1/20 0.37
BACE1 P56817 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MCL1 Q07820 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33
USP5 P45974 1/20 0.33
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL6941551 0.83 TSHR (0.37) MMP9RORC
SCHEMBL6941549 0.83 TSHR (0.37) MMP9RORC
SCHEMBL6941547 0.83 TSHR (0.37) MMP9RORC
SCHEMBL6941094 0.77 MMP9 (0.57) MMP9RORCBACE1
SCHEMBL6941092 0.77 MMP9 (0.57) MMP9RORCBACE1
SCHEMBL7643692 0.77 RORC (0.45) RORC
SCHEMBL6941442 0.77 RORC (0.40) MMP9RORCMMP1MMP3MMP7
SCHEMBL6936907 0.77 RORC (0.40) MMP9RORCMMP1MMP3MMP7
SCHEMBL6936904 0.77 RORC (0.40) MMP9RORCMMP1MMP3MMP7
SCHEMBL6939720 0.76 MMP8 (0.53) RORC

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
EP-1155013-B1 HETEROCYCLIC BENZENESULPHONAMIDE COMPOUNDS AS BRADYKININE ANTAGONISTS FOURNIER IND & SANTE (FR) 2003-07-23 EP disclosed
US-6479515-B1 FOR THE TREATMENT OF PAIN AND INFLAMMATION, AND ESPECIALLY IN THE TREATMENT OF ASTHMA, CEREBRAL TRAUMATIC SHOCK AND ALLERGIC RHINITIS FOURNIER INDUSTRIE ET SANTE (FR) 2002-11-12 US disclosed
EP-1155013-A1 HETEROCYCLIC BENZENESULPHONAMIDE COMPOUNDS AS BRADYKININE ANTAGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 2001-11-21 EP disclosed
WO-2000050418-A9 HETEROCYCLIC BENZENESULPHONAMIDE COMPOUNDS AS BRADYKININE ANTAGONISTS FOURNIER IND & SANTE (FR) 2001-02-22 WO disclosed
WO-2000050418-A1 HETEROCYCLIC BENZENESULPHONAMIDE COMPOUNDS AS BRADYKININE ANTAGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 2000-08-31 WO disclosed