SCHEMBL5312836

SCHEMBL5312836

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

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.78
CTSL P07711 7/20 0.78
CTSB P07858 5/20 0.78
CTSS P25774 5/20 0.78
CTSV O60911 1/20 0.73
CTSF Q9UBX1 1/20 0.73

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
SCHEMBL17841794 1.00 CTSK (0.78) CTSKCTSLCTSBCTSSCTSV
SCHEMBL28472588 1.00 CTSK (0.78) CTSKCTSLCTSBCTSSCTSV
SCHEMBL4672231 0.94 CTSK (0.78) CTSKCTSLCTSBCTSSCTSV
SCHEMBL5742250 0.90 CTSK (0.85) CTSKCTSLCTSBCTSSCTSV
SCHEMBL11981331 0.90 CTSK (0.75) CTSKCTSLCTSBCTSSCTSV
SCHEMBL4992553 0.88 CTSK (0.82) CTSKCTSLCTSBCTSSCTSV
SCHEMBL2155588 0.88 CTSK (0.82) CTSKCTSLCTSBCTSSCTSV
SCHEMBL8438799 0.88 CTSK (0.61) CTSKCTSLCTSBCTSSCTSV
SCHEMBL2156489 0.88 CTSK (0.82) CTSKCTSLCTSBCTSSCTSV
SCHEMBL28457932 0.88 CTSL (0.83) CTSKCTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106866502-B Cathepsin K inhibitors and uses thereof 广东东阳光药业有限公司 2020-10-09 CN disclosed
WO-2020025748-A1 PROCESS TO MAKE A SELECTIVE CATHEPSIN CYSTEINE PROTEASE INHIBITOR INTERVET INTERNATIONAL B.V. (NL) 2020-02-06 WO disclosed
WO-2016095879-A1 PREPARATION OF A HIGHLY PURE INTERMEDIATE FOR THE SYNTHESIS OF ODANACATIB ZENTIVA, K.S. (CZ) 2016-06-23 WO disclosed
WO-2016095879-A1 PREPARATION OF A HIGHLY PURE INTERMEDIATE FOR THE SYNTHESIS OF ODANACATIB ZENTIVA, K.S. (CZ) 2016-06-23 WO disclosed
US-8791162-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2014-07-29 US disclosed
US-7407959-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2008-08-05 US disclosed
US-7407959-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2008-08-05 US 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
EP-1817276-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada Ltd. (CA) 2007-08-15 EP disclosed
WO-2006056047-A9 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2007-06-21 WO disclosed
WO-2006056047-A9 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2007-06-21 WO disclosed
EP-1694647-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada Ltd. (CA) 2006-08-30 EP disclosed
WO-2006056047-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2006-06-01 WO 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
WO-2005056529-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2005-06-23 WO 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 (2 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-20060111440-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSZ CTSK 4/4885CTSL 8/4885CTSB 1/4885
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.