SCHEMBL3955653

SCHEMBL3955653

CC(C)CC(NC(=O)OC(C)(C)C)C(=O)N(C1CCCNC[C@@H]1O)S(=O)(=O)c1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.36
STS P08842 1/20 0.36
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
RORC P51449 2/20 0.34
MAPK1 P28482 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CTSB P07858 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
AAK1 Q2M2I8 1/20 0.33

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
SCHEMBL3955650 1.00 CTSL (0.36) CTSLSTSCTSSCTSKRORC
SCHEMBL4212772 0.86 CTSS (0.35) CTSLCTSSCTSKMAPK1CTSB
SCHEMBL5971691 0.82 MAPK1 (0.36) CTSLCTSSCTSKMAPK1CTSB
SCHEMBL4768823 0.81 TAS1R3 (0.45) CTSLCTSSCTSKCTSB
SCHEMBL4768817 0.81 TAS1R3 (0.45) CTSLCTSSCTSKCTSB
SCHEMBL6605965 0.81 SLC6A2 (0.37) STSRORCSLC6A2SLC6A4SLC6A3
SCHEMBL6605969 0.81 SLC6A2 (0.37) STSRORCSLC6A2SLC6A4SLC6A3
SCHEMBL3955656 0.81 STS (0.35) STSRORCSLC6A2SLC6A4SLC6A3
SCHEMBL6896141 0.79 MAPK1 (0.32) CTSLCTSSCTSKMAPK1CTSB
SCHEMBL4315427 0.78 MAPK1 (0.40) CTSLCTSSCTSKMAPK1CTSB

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-1796677-A4 METHOD FOR ACTIVATING TRPV4 CHANNEL RECEPTORS BY AGONISTS SMITHKLINE BEECHAM CORP (US) 2009-07-08 EP disclosed
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1796677-A2 METHOD FOR ACTIVATING TRPV4 CHANNEL RECEPTORS BY AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-20 EP disclosed
WO-2006029209-A2 METHOD FOR ACTIVATING TRPV4 CHANNEL RECEPTORS BY AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-16 WO disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed