Sugi Predict

Sugi Predict / Compounds / SCHEMBL5504667

SCHEMBL5504667

SCHEMBL5504667

CN(C[C@H](C=O)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 15/20 0.58
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40

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
SCHEMBL6122280 0.82 CTSK (0.56) CTSKCA1CA2CA7
SCHEMBL3984074 0.79 CTSK (0.51) CTSK
SCHEMBL3586974 0.78 CTSK (0.48) CTSKCA1CA2CA7
SCHEMBL1690906 0.78 CTSK (0.62) CTSKCA1CA2CA7
SCHEMBL1262565 0.78 CTSK (0.62) CTSKCA1CA2CA7
SCHEMBL18428122 0.78 CTSK (0.62) CTSKCA1CA2CA7
SCHEMBL2405499 0.77 CTSK (0.66) CTSKCA1CA2CA7
SCHEMBL3212396 0.77 CTSK (0.66) CTSKCA1CA2CA7
SCHEMBL374867 0.77 CTSK (0.66) CTSKCA1CA2CA7
SCHEMBL1802737 0.77 CTSK (0.66) CTSKCA1CA2CA7

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
US-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 — — US disclosed
EP-1807078-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-07-18 — — EP disclosed
WO-2006042150-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-04-20 — — WO disclosed