SCHEMBL5615538

SCHEMBL5615538

Cn1cc(S(=O)(=O)N(C(=O)[C@H]2NC(C)(C)CS2)[C@@H](Cc2ccc(OC(=O)N3CCSCC3)cc2)C(=O)O)cn1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 16/20 0.33
ITGA4 P13612 16/20 0.33
ITGB7 P26010 15/20 0.33
ITGAV P06756 1/20 0.32
NPY2R P49146 1/20 0.30

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
SCHEMBL3856621 0.92
SCHEMBL4958912 0.88 NPY2R (0.34) ITGB1ITGA4ITGB7ITGAVNPY2R
SCHEMBL3851942 0.88 ITGB1 (0.34) ITGB1ITGA4
SCHEMBL4562544 0.85 ITGB1 (0.32) ITGB1ITGA4ITGB7
SCHEMBL3848898 0.83 ITGB1 (0.38) ITGB1ITGA4ITGB7ITGAVNPY2R
SCHEMBL3852401 0.81 ITGB1 (0.32) ITGB1ITGA4
SCHEMBL3850641 0.80 ITGB1 (0.30) ITGB1ITGA4
SCHEMBL3852543 0.79 HTR1A (0.30)
SCHEMBL3852613 0.79 MMP2 (0.31)
SCHEMBL3858232 0.79 HTR1A (0.30)

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 5 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 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-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