SCHEMBL4591136

SCHEMBL4591136

CC(C)(F)C[C@H](N)C(=O)N([C@@H](c1ccc(-c2ccc(C3(C(N)=O)CC3)cc2)cn1)C(F)(F)F)C1(C#N)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.46
CTSL P07711 4/20 0.41
CTSB P07858 4/20 0.41
CTSF Q9UBX1 4/20 0.41
CTSV O60911 2/20 0.33
CTSS P25774 2/20 0.33
SYK P43405 1/20 0.31

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
SCHEMBL3680228 0.88 CTSK (0.53) CTSKCTSLCTSBCTSFCTSV
SCHEMBL3674523 0.84 CTSK (0.58) CTSKCTSLCTSBCTSFCTSV
SCHEMBL3671247 0.81 CTSK (0.51) CTSKCTSLCTSBCTSFCTSV
SCHEMBL3679538 0.80 CTSK (0.43) CTSKCTSLCTSBCTSFCTSV
SCHEMBL3681887 0.79 CTSK (0.58) CTSKCTSLCTSBCTSFCTSV
SCHEMBL3688323 0.79 CTSK (0.45) CTSKCTSLCTSBCTSFCTSV
SCHEMBL3676928 0.78 CTSK (0.46) CTSKCTSLCTSBCTSFCTSV
SCHEMBL2156782 0.78 CTSL (0.33) CTSKCTSLCTSBCTSS
SCHEMBL3687738 0.78 CTSK (0.47) CTSKCTSLCTSBCTSFCTSV
SCHEMBL2157343 0.78 CTSK (0.38) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20150250759-A1 COMPOSITION FOR INHIBITION OF CATHEPSIN K MERCK SHARP & DOHME CORP. (US) 2015-09-10 US disclosed
EP-2783687-A1 Composition for inhibition of cathepsin K Merck Sharp & Dohme Corp. (US) 2014-10-01 EP disclosed
US-20140186471-A1 COMPOSITION FOR INHIBITION OF CATHEPSIN K MERCK SHARP & DOHME (US) 2014-07-03 US disclosed
US-8722734-B2 Composition for inhibition of cathepsin K MERCK SHARP & DOHME CORP. (US) 2014-05-13 US disclosed
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 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 (3 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-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

“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.