Sugi Predict

Sugi Predict / Compounds / SCHEMBL3132470

SCHEMBL3132470

SCHEMBL3132470

CC(C)=CC1CN(C(C=O)(NC(=O)c2ccc(-c3nc(N4CCN(C)CC4)sc3F)cc2)C2CCCC2)C2C(=O)COC12.CCC(C)C(NC(=O)c1ccc(-c2nc(N3CCN(C)CC3)sc2F)cc1)C(=O)N1CC(C=C(C)C)C2OCC(=O)C21

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 20/20 0.67
▸ CTSS P25774 9/20 0.67
▸ CTSL P07711 7/20 0.67

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
SCHEMBL1936909 0.92 CTSK (0.66) CTSKCTSSCTSL
SCHEMBL1146998 0.90 CTSK (0.81) CTSKCTSSCTSL
SCHEMBL1146712 0.90 CTSK (0.79) CTSKCTSSCTSL
SCHEMBL1936910 0.89 CTSK (0.60) CTSKCTSSCTSL
SCHEMBL1146359 0.89 CTSK (0.78) CTSKCTSSCTSL
SCHEMBL1146818 0.86 CTSK (0.72) CTSKCTSSCTSL
SCHEMBL1146999 0.85 CTSK (0.79) CTSKCTSSCTSL
SCHEMBL1146773 0.84 CTSK (0.78) CTSKCTSSCTSL
SCHEMBL17284085 0.84 CTSK (0.70) CTSKCTSSCTSL
SCHEMBL1146646 0.83 CTSK (0.68) CTSKCTSSCTSL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010034788-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-04-01 — — WO disclosed