SCHEMBL4563644

SCHEMBL4563644

Cc1ccc(S(=O)(=O)N(C(=O)C2NCC(=O)SC2=O)[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(=O)O)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.35
P2RX7 Q99572 1/20 0.33
CNR2 P34972 2/20 0.33
ITGB1 P05556 7/20 0.33
ITGA4 P13612 7/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
ALOX5 P09917 1/20 0.32
KMT2A Q03164 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 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
SCHEMBL7579993 0.90 P2RX7 (0.32) PTGESP2RX7
SCHEMBL4563392 0.87 ITGB1 (0.34) ITGB1ITGA4TAS2R14
SCHEMBL4562546 0.86 CYP2C9 (0.43) ITGB1ITGA4ALOX5KMT2AALDH1A1
SCHEMBL3852380 0.83 PTGES (0.37) PTGESP2RX7CNR2ITGB1ITGA4
SCHEMBL4564688 0.80 BMP1 (0.30)
SCHEMBL3851526 0.80 PTGES (0.36) PTGESP2RX7CNR2ITGB1ITGA4
SCHEMBL3858269 0.79 PTGES (0.37) PTGESP2RX7CNR2ITGB1ITGA4
SCHEMBL4563287 0.79 RORC (0.32)
SCHEMBL4563268 0.79 P2RX7 (0.32) PTGESP2RX7CNR2KMT2A
SCHEMBL4563523 0.78

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