SCHEMBL6535335

SCHEMBL6535335

COCCN(C)S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 15/20 1.00
MAOA P21397 3/20 0.60
MAOB P27338 2/20 0.60
CASP7 P55210 7/20 0.51
CASP1 P29466 3/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
ALDH1A1 P00352 1/20 0.47
CASP9 P55211 2/20 0.47
GAA P10253 1/20 0.44

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
SCHEMBL7566978 0.85 CASP3 (0.74) CASP3MAOAMAOBCASP7CASP1
SCHEMBL7486332 0.81 CASP3 (0.68) CASP3MAOAMAOBCASP7CASP1
SCHEMBL6535436 0.80 CASP3 (0.67) CASP3MAOAMAOBCASP7CA12
SCHEMBL4411083 0.79 CASP3 (0.64) CASP3MAOAMAOBCASP7CASP1
SCHEMBL7736087 0.78 CASP3 (0.64) CASP3MAOAMAOBCASP7CASP1
SCHEMBL8307133 0.78 CASP3 (0.63) CASP3MAOAMAOBALDH1A1GAA
SCHEMBL4906814 0.77 MAOA (0.78) CASP3MAOAMAOBCA12CA1
SCHEMBL14111831 0.75 ALDH1A1 (0.67) CASP3CASP7CASP1CA12CA1
SCHEMBL10090152 0.74 CASP3 (0.58) CASP3CA12CA9ALDH1A1
SCHEMBL8312045 0.74 CASP3 (0.59) CASP3MAOAMAOBCASP7CASP1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242081-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2004-07-21 EP claimed
EP-1001933-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2002-11-06 EP claimed
EP-1242081-A1 CASPASES AND APOPTOSIS SmithKline Beecham Corporation (US) 2002-09-25 EP claimed
US-6403792-B1 INHIBIT PRODUCTION OF CASPASE 3 AND 7 IN MAMMALS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US claimed
WO-2001022966-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-05 WO claimed
EP-1001933-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 EP claimed
WO-1999006367-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-11 WO claimed
EP-1242081-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2004-07-21 EP disclosed
EP-1001933-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2002-11-06 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
EP-1001933-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 EP disclosed
WO-1999006367-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-11 WO disclosed