SCHEMBL4590785

SCHEMBL4590785

CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc([C@@H](O)C(F)F)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 1.00
CTSL P07711 5/20 0.75
CTSB P07858 2/20 0.75
CTSF Q9UBX1 2/20 0.75
CTSV O60911 1/20 0.75
CTSS P25774 1/20 0.75

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
SCHEMBL23874957 1.00 CTSK (1.00) CTSKCTSLCTSBCTSFCTSV
SCHEMBL4987203 1.00 CTSK (1.00) CTSKCTSLCTSBCTSFCTSV
SCHEMBL4590757 1.00 CTSK (1.00) CTSKCTSLCTSBCTSFCTSV
SCHEMBL21645296 1.00 CTSK (1.00) CTSKCTSLCTSBCTSFCTSV
SCHEMBL5742250 0.91 CTSK (0.85) CTSKCTSLCTSBCTSFCTSV
SCHEMBL4986789 0.90 CTSK (0.82) CTSKCTSLCTSBCTSFCTSV
SCHEMBL2155710 0.90 CTSK (0.82) CTSKCTSLCTSBCTSFCTSV
SCHEMBL21690159 0.90 CTSK (0.82) CTSKCTSLCTSBCTSFCTSV
SCHEMBL2155451 0.90 CTSK (0.82) CTSKCTSLCTSBCTSFCTSV
SCHEMBL23875152 0.90 CTSK (0.82) CTSKCTSLCTSBCTSFCTSV

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142126-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF VIRAL DISEASES HEALION BIO., INC. (US) 2023-05-11 US claimed
EP-4149552-A1 COMPOSITIONS AND METHODS FOR INCREASING EFFICACY OF A DRUG Healion Bio, Inc. (US) 2023-03-22 EP claimed
WO-2022072504-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF VIRAL DISEASES HEALION BIO, INC. (US) 2022-04-07 WO claimed
US-20150250759-A1 COMPOSITION FOR INHIBITION OF CATHEPSIN K MERCK SHARP & DOHME CORP. (US) 2015-09-10 US claimed
EP-2783687-A1 Composition for inhibition of cathepsin K Merck Sharp & Dohme Corp. (US) 2014-10-01 EP claimed
US-20140186471-A1 COMPOSITION FOR INHIBITION OF CATHEPSIN K MERCK SHARP & DOHME (US) 2014-07-03 US claimed
EP-1817276-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK CANADA INC (CA) 2012-08-08 EP claimed
US-20080255072-A1 Oral unit dose for inhibiting bone resorption; reduced frequency regime; N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; blister pack card orienting the dosages in the order of their intended use MERCK SHARP & DOHME LLC 2008-10-16 US claimed
US-7407959-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2008-08-05 US claimed
US-20070293578-A1 Cathepsin Cysteine Protease Inhibitors GAUTHIER JACQUES Y 2007-12-20 US claimed
US-20060111440-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-05-25 US claimed
WO-2023132842-A1 DRUG COMBINATION TO TREAT MICROBIAL INFECTIONS INCLUDING CORONAVIRUS AiPharma Global Holdings LLC (US) 2023-07-13 WO disclosed
US-20230142126-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF VIRAL DISEASES HEALION BIO., INC. (US) 2023-05-11 US disclosed
EP-4149552-A1 COMPOSITIONS AND METHODS FOR INCREASING EFFICACY OF A DRUG Healion Bio, Inc. (US) 2023-03-22 EP disclosed
WO-2022072504-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF VIRAL DISEASES HEALION BIO, INC. (US) 2022-04-07 WO disclosed
US-20070293578-A1 Cathepsin Cysteine Protease Inhibitors GAUTHIER JACQUES Y 2007-12-20 US disclosed
US-20070293578-A1 Cathepsin Cysteine Protease Inhibitors GAUTHIER JACQUES Y 2007-12-20 US disclosed
US-20060111440-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-05-25 US disclosed
US-20060111440-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-05-25 US disclosed
US-20060111440-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-05-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230142126-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF VIRAL DISEASES CTSV, CTSB, CTSS CTSK 11/4885CTSL 13/4885CTSB 2/4885
US-20060111440-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSZ CTSK 4/4885CTSL 8/4885CTSB 1/4885
US-20140186471-A1 COMPOSITION FOR INHIBITION OF CATHEPSIN K CTSK, CTSB, CTSZ CTSK 1/4885CTSL 12/4885CTSB 2/4885
US-20080255072-A1 Oral unit dose for inhibiting bone resorption; reduced frequency regime; N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; blister pack card orienting the dosages in the order of their intended use CTSK, CTSB, CTSE CTSK 1/4885CTSL 7/4885CTSB 2/4885
US-20150250759-A1 COMPOSITION FOR INHIBITION OF CATHEPSIN K CTSK, CTSB, CTSZ CTSK 1/4885CTSL 12/4885CTSB 2/4885
US-20070293578-A1 Cathepsin Cysteine Protease Inhibitors CTSB, CTSS, CTSE CTSK 7/4885CTSL 10/4885CTSB 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.