SCHEMBL6594875

SCHEMBL6594875

Cc1nc(S(=O)(=O)N2CCC[C@H](NC(=O)[CH]CC(C)C)C(=O)C2)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.40
CTSL P07711 7/20 0.40
CTSS P25774 7/20 0.40
CTSB P07858 5/20 0.40
CTSV O60911 1/20 0.39
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
USP2 O75604 1/20 0.31
HTT P42858 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL5098802 0.91 CTSK (0.37) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6594878 0.84 CTSK (0.41) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5098815 0.83 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5099617 0.82 CTSK (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7485641 0.81 TSHR (0.35) TSHRSMN1; SMN2USP2HTTJAK2
SCHEMBL5099529 0.81 CTSK (0.37) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7477924 0.80 CTSK (0.49) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4686326 0.79 CTSK (0.60) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5096573 0.78 EPHX2 (0.42) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5092584 0.78 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP claimed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP claimed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO claimed
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed