SCHEMBL4451837

SCHEMBL4451837

Cc1c[nH]nc1S(=O)(=O)N(C(=O)[C@H]1NC(C)(C)CS1)[C@@H](Cc1ccc(OC(=O)N(C)C)cc1)C(=O)OCCOc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.33
ITGB1 P05556 13/20 0.32
ITGA4 P13612 13/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
RARG P13631 1/20 0.31
RXRA P19793 1/20 0.31

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
SCHEMBL4448504 0.89 ITGB1 (0.33) ITGB1ITGA4
SCHEMBL4445800 0.88
SCHEMBL3855418 0.86 ITGB3 (0.32) PPARGITGB1ITGA4ITGB3ITGA2B
SCHEMBL4418761 0.82
SCHEMBL4458337 0.81
SCHEMBL4455497 0.81
SCHEMBL7204332 0.80 ITGB3 (0.31) PPARGITGB1ITGA4ITGB3ITGA2B
SCHEMBL4449503 0.79 ITGB1 (0.30) ITGB1ITGA4
SCHEMBL4421319 0.79 ITGB1 (0.32) ITGB1ITGA4
SCHEMBL4453834 0.79

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-1592386-A4 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARM INC (US) 2007-06-13 EP claimed
EP-1592386-A2 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS Elan Pharmaceuticals, Inc. (US) 2005-11-09 EP claimed
WO-2004066931-A2 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARMACEUTICALS INC. (US) 2004-08-12 WO claimed
EP-1635822-A4 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARM INC (US) 2009-06-24 EP disclosed
EP-1635822-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS Elan Pharmaceuticals, Inc. (US) 2006-03-22 EP disclosed
WO-2005000246-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 WO disclosed