SCHEMBL4451795

SCHEMBL4451795

Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(OC(=O)N3CCN(CCO)CC3)cc2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.56
CACNA1B Q00975 6/20 0.46
P2RX7 Q99572 2/20 0.44
ITGB1 P05556 3/20 0.44
ITGB7 P26010 1/20 0.44
MMP1 P03956 3/20 0.42
MMP13 P45452 2/20 0.42
ADAM17 P78536 1/20 0.42
ITGA5 P08648 2/20 0.42
MMP9 P14780 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
FKBP1A P62942 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MCL1 Q07820 1/20 0.40

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
SCHEMBL3857921 0.94 ITGA4 (0.54) ITGA4CACNA1BP2RX7ITGB1ITGB7
SCHEMBL3850110 0.93 ITGA4 (0.53) ITGA4CACNA1BP2RX7ITGB1ITGB7
SCHEMBL3854111 0.93 ITGA4 (0.53) ITGA4CACNA1BP2RX7ITGB1ITGB7
SCHEMBL3848814 0.92 ITGA4 (0.53) ITGA4CACNA1BP2RX7ITGB1ITGB7
SCHEMBL4458055 0.91 ITGA4 (0.51) ITGA4CACNA1BP2RX7ITGB1ITGB7
SCHEMBL4422994 0.91 ITGA4 (0.64) ITGA4ITGB1ITGB7ITGA5GAA
SCHEMBL4415981 0.90 ITGA4 (0.50) ITGA4CACNA1BP2RX7ITGB1ITGB7
SCHEMBL4431680 0.90 ITGA4 (0.51) ITGA4CACNA1BP2RX7ITGB1ITGB7
SCHEMBL3849319 0.89 ITGA4 (0.51) ITGA4CACNA1BP2RX7ITGB1ITGB7
SCHEMBL3853214 0.89 ITGA4 (0.52) ITGA4CACNA1BP2RX7ITGB1ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635822-A4 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARM INC (US) 2009-06-24 EP claimed
JP-2007526230-A 2007-09-13 JP claimed
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-1635822-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS Elan Pharmaceuticals, Inc. (US) 2006-03-22 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-2005000246-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 WO 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-1592386-A4 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARM INC (US) 2007-06-13 EP disclosed
EP-1635822-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS Elan Pharmaceuticals, Inc. (US) 2006-03-22 EP disclosed
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 disclosed
WO-2005000246-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 WO disclosed
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 disclosed
EP-1000051-A1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-17 EP disclosed
WO-1999006390-A1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO disclosed