SCHEMBL4243053

SCHEMBL4243053

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C#N)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 15/20 1.00
CTSS P25774 5/20 0.63
CTSK P43235 5/20 0.63
CTSB P07858 2/20 0.63

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
SCHEMBL8218549 1.00 CTSL (1.00) CTSLCTSSCTSKCTSB
SCHEMBL6182672 0.95 CTSL (0.91) CTSLCTSSCTSKCTSB
SCHEMBL6503858 0.86 CTSL (0.76) CTSLCTSSCTSKCTSB
SCHEMBL5517840 0.84 CTSL (0.72) CTSLCTSSCTSKCTSB
SCHEMBL5517842 0.84 CTSL (0.72) CTSLCTSSCTSKCTSB
SCHEMBL4249842 0.84 CTSL (0.72) CTSLCTSSCTSKCTSB
SCHEMBL6493540 0.81 CTSL (0.69) CTSLCTSSCTSKCTSB
SCHEMBL346969 0.81 CTSL (0.69) CTSLCTSSCTSKCTSB
SCHEMBL3624041 0.81 CTSL (0.68) CTSLCTSSCTSKCTSB
SCHEMBL11917805 0.81 CTSL (0.67) CTSLCTSSCTSKCTSB

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
CN-114981251-B Dibenzofuran derivative cathepsin K inhibitor and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-11-21 CN disclosed
CN-114981251-A Diphenyl furan derivative cathepsin K inhibitor and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-08-30 CN disclosed
WO-2021147882-A1 DIBENZOFURAN DERIVATIVE CATHEPSIN K INHIBITOR, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2021-07-29 WO disclosed
WO-2021147882-A1 DIBENZOFURAN DERIVATIVE CATHEPSIN K INHIBITOR, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2021-07-29 WO disclosed
EP-2520568-B1 Spirocyclic nitriles as inhibitors of protease SANOFI SA (FR) 2015-09-09 EP disclosed
EP-2520568-A1 Spirocyclic nitriles as inhibitors of protease SANOFI (FR) 2012-11-07 EP disclosed
EP-2032535-B1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI SA (FR) 2012-08-01 EP disclosed
EP-2032535-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS Sanofi-Aventis (FR) 2009-03-11 EP disclosed
WO-2007137738-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI-AVENTIS (DE) 2007-12-06 WO disclosed