SCHEMBL5609005

SCHEMBL5609005

Cc1ccc(S(=O)(=O)N(C(=O)C2NCCSC2=O)[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.32
PTGES O14684 1/20 0.32
STAT3 P40763 1/20 0.30
STAT5B P51692 1/20 0.30
POLB P06746 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
SCHEMBL4563268 0.90 P2RX7 (0.32) P2RX7PTGESPOLB
SCHEMBL7579993 0.89 P2RX7 (0.32) P2RX7PTGES
SCHEMBL3850724 0.88 P2RX7 (0.33) P2RX7PTGESSTAT3STAT5B
SCHEMBL6038413 0.87 P2RX7 (0.32) P2RX7PTGESSTAT3STAT5B
SCHEMBL4446033 0.86 BRAF (0.31)
SCHEMBL3850821 0.84 P2RX7 (0.34) P2RX7PTGESSTAT3STAT5B
SCHEMBL3851267 0.83 P2RX7 (0.33) P2RX7PTGESSTAT3STAT5B
SCHEMBL3852344 0.82 P2RX7 (0.32) P2RX7PTGESSTAT3STAT5B
SCHEMBL3870071 0.81 P2RX7 (0.32) P2RX7PTGES
SCHEMBL3850404 0.81 P2RX7 (0.32) P2RX7PTGES

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-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