Sugi Predict

Sugi Predict / Compounds / SCHEMBL5609014

SCHEMBL5609014

SCHEMBL5609014

CN(C)C(=O)Oc1ccc(C[C@@H](C(=O)OC(C)(C)C)N(C(=O)[C@H]2NC(C)(C)CS2)S(=O)(=O)c2ccc(F)cc2)cc1.CN(C)C(=O)Oc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C#N)cc2)C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 10/20 0.39
▸ ITGA4 P13612 6/20 0.39
▸ ITGB7 P26010 1/20 0.39
▸ ITGA5 P08648 3/20 0.38
▸ KCNQ1 P51787 1/20 0.34
▸ ITGAV P06756 4/20 0.34
▸ GLP1R P43220 3/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ CACNA1B Q00975 1/20 0.33
▸ CMA1 P23946 2/20 0.33

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
SCHEMBL5615557 0.87 ITGB1 (0.36) ITGB1ITGA4ITGB7ITGA5KCNQ1
SCHEMBL3855318 0.82 P2RX7 (0.32) P2RX7
SCHEMBL3849210 0.80 ITGB1 (0.45) ITGB1ITGA4ITGB7ITGA5KCNQ1
SCHEMBL3854045 0.80 ITGB1 (0.55) ITGB1ITGA4ITGB7ITGA5KCNQ1
SCHEMBL7714075 0.80 ITGB1 (0.55) ITGB1ITGA4ITGB7ITGA5KCNQ1
SCHEMBL3855039 0.79 CACNA1B (0.46) ITGB1ITGA4ITGB7ITGA5CACNA1B
SCHEMBL3855807 0.78 ITGB1 (0.56) ITGB1ITGA4ITGB7ITGA5ITGAV
SCHEMBL7447670 0.77 ITGA4 (0.46) ITGB1ITGA4ITGB7ITGA5KCNQ1
SCHEMBL7716513 0.77 P2RX7 (0.32) P2RX7
SCHEMBL3850225 0.77 P2RX7 (0.32) P2RX7

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