SCHEMBL3158121

SCHEMBL3158121

CC(C)S(=O)(=O)N1CCC(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.53
CTSS P25774 5/20 0.53
MAPK1 P28482 1/20 0.40
TSHR P16473 1/20 0.40
IDO1 P14902 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
FAAH O00519 1/20 0.39
KMT2A Q03164 3/20 0.39
EPHX2 P34913 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL3159973 0.87 CTSK (0.49) CTSKCTSSMAPK1TSHRIDO1
SCHEMBL27129801 0.83 CTSS (0.56) CTSKCTSSMAPK1TSHRIDO1
SCHEMBL5891513 0.83 CTSS (0.56) CTSKCTSSMAPK1TSHRIDO1
SCHEMBL27002602 0.83 CTSS (0.56) CTSKCTSSMAPK1TSHRIDO1
SCHEMBL956164 0.82 CTSS (0.68) CTSKCTSSIDO1AAK1CTSL
SCHEMBL1351322 0.82 CTSS (0.68) CTSKCTSSIDO1AAK1CTSL
SCHEMBL956167 0.82 CTSS (0.68) CTSKCTSSIDO1AAK1CTSL
SCHEMBL3170253 0.81 ALDH1A1 (0.54) CTSKCTSSTSHRKMT2A
SCHEMBL2748421 0.81 CTSS (0.54) CTSKCTSSMAPK1TSHRIDO1
SCHEMBL21571163 0.81 CTSS (0.54) CTSKCTSSMAPK1TSHRIDO1

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-1862457-B1 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORP (US) 2010-01-20 EP disclosed
EP-1862457-A2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SmithKline Beecham Corporation (US) 2007-12-05 EP disclosed
EP-1406873-B1 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-09-26 EP disclosed