SCHEMBL6536692

SCHEMBL6536692

O=C1Nc2ccc(S(=O)(=O)N3CCCC3C[S+]([O-])c3ccccc3)cc2C1=O

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 19/20 0.71
CASP7 P55210 13/20 0.71
CASP1 P29466 7/20 0.71
CASP6 P55212 4/20 0.71
CASP2 P42575 3/20 0.71
CASP9 P55211 3/20 0.71
CASP4 P49662 2/20 0.71
CASP8 Q14790 2/20 0.71

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
SCHEMBL6535910 0.95 CASP3 (0.66) CASP3CASP7CASP1CASP6CASP2
SCHEMBL6535653 0.83 CASP3 (1.00) CASP3CASP7CASP1CASP6CASP2
SCHEMBL6535700 0.83 CASP3 (1.00) CASP3CASP7CASP1CASP6CASP2
SCHEMBL6535651 0.83 CASP3 (1.00) CASP3CASP7CASP1CASP6CASP2
SCHEMBL7428657 0.82 CASP3 (0.71) CASP3CASP7CASP1CASP6CASP2
SCHEMBL6535724 0.82 CASP3 (0.71) CASP3CASP7CASP1CASP6CASP2
SCHEMBL2263591 0.81 CASP3 (1.00) CASP3CASP7CASP1CASP6CASP2
SCHEMBL4094113 0.81 CASP3 (1.00) CASP3CASP7CASP1CASP6CASP2
SCHEMBL13925543 0.81 CASP3 (0.78) CASP3CASP7CASP1CASP6CASP2
SCHEMBL6535733 0.81 CASP3 (0.74) CASP3CASP7CASP1CASP6CASP2

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
US-6403792-B1 INHIBIT PRODUCTION OF CASPASE 3 AND 7 IN MAMMALS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US claimed
EP-1242081-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2004-07-21 EP disclosed
EP-1242081-A1 CASPASES AND APOPTOSIS SmithKline Beecham Corporation (US) 2002-09-25 EP disclosed
US-6403792-B1 INHIBIT PRODUCTION OF CASPASE 3 AND 7 IN MAMMALS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
WO-2001022966-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-05 WO disclosed