SCHEMBL4458290

SCHEMBL4458290

Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(=O)OCC(C)(C)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.48
ITGB1 P05556 4/20 0.43
ITGB7 P26010 1/20 0.43
ITGA5 P08648 3/20 0.41
RAB9A P51151 1/20 0.40
CACNA1B Q00975 1/20 0.40
FKBP1A P62942 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.39
KCNQ1 P51787 1/20 0.39
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
P2RX7 Q99572 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP3A4 P08684 1/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL3855808 0.91 ITGA4 (0.52) ITGA4ITGB1ITGB7ITGA5CACNA1B
SCHEMBL3848838 0.91 ITGA4 (0.52) ITGA4ITGB1ITGB7ITGA5RAB9A
SCHEMBL3852486 0.88 ITGA4 (0.58) ITGA4ITGB1ITGB7ITGA5RAB9A
SCHEMBL3855039 0.85 CACNA1B (0.46) ITGA4ITGB1ITGB7ITGA5CACNA1B
SCHEMBL3855409 0.85 ITGB1 (0.46) ITGA4ITGB1ITGB7ITGA5CACNA1B
SCHEMBL3851380 0.85 ITGA4 (0.54) ITGA4ITGB1ITGB7ITGA5FKBP1A
SCHEMBL3851005 0.85 ITGA4 (0.53) ITGA4ITGB1ITGB7ITGA5RAB9A
SCHEMBL3852610 0.84 ITGA4 (0.61) ITGA4ITGB1ITGB7ITGA5RAB9A
SCHEMBL12317080 0.84 CACNA1B (0.45) ITGA4ITGB1ITGB7ITGA5CACNA1B
SCHEMBL12317079 0.84 ITGB1 (0.48) ITGA4ITGB1ITGB7ITGA5CACNA1B

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-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-1635822-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS Elan Pharmaceuticals, Inc. (US) 2006-03-22 EP claimed
WO-2005000246-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 WO claimed
EP-1635822-A4 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARM INC (US) 2009-06-24 EP disclosed
EP-1635871-A4 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARM INC (US) 2007-07-18 EP disclosed
EP-1635871-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS Elan Pharmaceuticals, Inc. (US) 2006-03-22 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
WO-2005000244-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 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