SCHEMBL6535374

SCHEMBL6535374

CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 18/20 1.00
▸ CASP7 P55210 11/20 0.61
▸ CASP9 P55211 4/20 0.61
▸ CASP1 P29466 7/20 0.60
▸ CASP2 P42575 3/20 0.55
▸ CASP6 P55212 3/20 0.55
▸ CASP4 P49662 2/20 0.55
▸ CASP8 Q14790 2/20 0.55

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
SCHEMBL6535370 1.00 CASP3 (1.00) CASP3CASP7CASP9CASP1CASP2
SCHEMBL1092156 0.89 CASP3 (1.00) CASP3CASP7CASP9CASP1CASP2
SCHEMBL1092160 0.89 CASP3 (1.00) CASP3CASP7CASP9CASP1CASP2
SCHEMBL6535570 0.84 CASP3 (0.76) CASP3CASP7CASP9CASP1CASP2
SCHEMBL6535574 0.84 CASP3 (0.76) CASP3CASP7CASP9CASP1CASP2
SCHEMBL6535354 0.82 CASP3 (1.00) CASP3CASP7CASP9CASP1CASP2
SCHEMBL7484695 0.81 CASP3 (0.71) CASP3CASP7CASP9CASP1CASP2
SCHEMBL6536379 0.78 CASP3 (0.78) CASP3CASP7CASP9CASP1CASP2
SCHEMBL6624711 0.78 CASP3 (0.63) CASP3
SCHEMBL8263963 0.77 CASP3 (0.65) CASP3CASP7CASP9CASP1CASP2

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 12 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
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
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
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