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Sugi Predict / Compounds / SCHEMBL5609215

SCHEMBL5609215

SCHEMBL5609215

Cc1ccc(S(=O)(=O)N(C(=O)C2CNCCN2)[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(=O)O)cc1.Cc1ccc(S(=O)(=O)N(C(=O)[C@H]2NC(C)(C)CS2)[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(=O)O)cc1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.31

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
SCHEMBL3851526 0.91 PTGES (0.36) PTGES
SCHEMBL3858269 0.90 PTGES (0.37) PTGES
SCHEMBL7716513 0.85 P2RX7 (0.32) PTGES
SCHEMBL3860129 0.85 ADAMTS5 (0.33) —
SCHEMBL3851221 0.85 TAS2R14 (0.34) —
SCHEMBL3850147 0.83 ITGB1 (0.40) —
SCHEMBL3851918 0.83 TRPM8 (0.35) —
SCHEMBL3855348 0.83 MMP2 (0.33) PTGES
SCHEMBL3850225 0.82 P2RX7 (0.32) PTGES
SCHEMBL3851267 0.81 P2RX7 (0.33) PTGES

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 claimed
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 claimed
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 claimed