SCHEMBL6535582

SCHEMBL6535582

O=C1Nc2ccc(S(=O)(=O)N3CCC(O)CC3)cc2C1=O

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 10/20 0.75
CASP7 P55210 3/20 0.75
CASP9 P55211 2/20 0.75
CASP1 P29466 2/20 0.75

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
SCHEMBL6536461 0.93 CASP3 (0.65) CASP3CASP7CASP9CASP1
SCHEMBL8307257 0.87 CASP3 (0.75) CASP3CASP7CASP9CASP1
SCHEMBL31395806 0.86 CASP3 (1.00) CASP3CASP7CASP9CASP1
SCHEMBL2486952 0.86 CASP3 (1.00) CASP3CASP7CASP9CASP1
SCHEMBL6535562 0.85 CASP3 (1.00) CASP3CASP7CASP9CASP1
SCHEMBL6535690 0.85 CASP3 (1.00) CASP3CASP7CASP9CASP1
SCHEMBL31175908 0.85 CASP3 (1.00) CASP3CASP7CASP9CASP1
SCHEMBL30555459 0.82 CASP3 (0.81) CASP3CASP7CASP9CASP1
SCHEMBL29059079 0.82 CASP3 (0.81) CASP3CASP7CASP9CASP1
SCHEMBL5988598 0.81 CASP3 (0.79) CASP3CASP7CASP9CASP1

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