SCHEMBL4563392

SCHEMBL4563392

CN(C)C(=O)Oc1ccc(C[C@@H](C(=O)O)N(C(=O)C2NCC(=O)SC2=O)S(=O)(=O)c2cccc(F)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 10/20 0.34
ITGA4 P13612 10/20 0.34
KCNA5 P22460 2/20 0.33
MAOB P27338 1/20 0.32
PTGER2 P43116 2/20 0.31
MAPT P10636 1/20 0.31
TAS2R14 Q9NYV8 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
SCHEMBL4563644 0.87 PTGES (0.35) ITGB1ITGA4TAS2R14
SCHEMBL4564688 0.81 BMP1 (0.30)
SCHEMBL8059939 0.81
SCHEMBL4563287 0.80 RORC (0.32)
SCHEMBL3870165 0.79 ITGB1 (0.34) ITGB1ITGA4MAOBMAPT
SCHEMBL7579993 0.78 P2RX7 (0.32)
SCHEMBL4563523 0.74
SCHEMBL4562546 0.73 CYP2C9 (0.43) ITGB1ITGA4
SCHEMBL3852976 0.73 MAPT (0.32) MAOBMAPT
SCHEMBL3856501 0.73 TAS2R14 (0.35) ITGB1ITGA4TAS2R14

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-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-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
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
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