SCHEMBL4562544

SCHEMBL4562544

Cc1n[nH]cc1S(=O)(=O)N(C(=O)[C@H]1NC(C)(C)CS1)[C@@H](Cc1ccc(OC(=O)N2CCSCC2)cc1)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 6/20 0.32
ITGA4 P13612 6/20 0.32
ITGB7 P26010 5/20 0.32

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
SCHEMBL4448681 0.92
SCHEMBL4958912 0.88 NPY2R (0.34) ITGB1ITGA4ITGB7
SCHEMBL4421319 0.87 ITGB1 (0.32) ITGB1ITGA4ITGB7
SCHEMBL5615538 0.85 ITGB1 (0.33) ITGB1ITGA4ITGB7
SCHEMBL5609494 0.82
SCHEMBL3848898 0.81 ITGB1 (0.38) ITGB1ITGA4ITGB7
SCHEMBL4455497 0.80
SCHEMBL4449503 0.80 ITGB1 (0.30) ITGB1ITGA4
SCHEMBL4419699 0.79
SCHEMBL4422941 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592387-A4 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARM INC (US) 2009-05-06 EP disclosed
EP-1592387-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-2004066932-A2 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARMACEUTICALS INC. (US) 2004-08-12 WO disclosed