SCHEMBL4563287

SCHEMBL4563287

CN(C)C(=O)Oc1ccc(C[C@@H](C(=O)OC(C)(C)C)N(C(=O)C2NCC(=O)SC2=O)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
RORC P51449 13/20 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
SCHEMBL4564688 0.94 BMP1 (0.30)
SCHEMBL7579993 0.89 P2RX7 (0.32)
SCHEMBL8059939 0.88
SCHEMBL4563523 0.83
SCHEMBL3870985 0.81 RORC (0.30) RORC
SCHEMBL4563392 0.80 ITGB1 (0.34)
SCHEMBL4563644 0.79 PTGES (0.35)
SCHEMBL4563434 0.78 P2RX7 (0.36)
SCHEMBL5609005 0.78 P2RX7 (0.32)
SCHEMBL4446033 0.78 BRAF (0.31)

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