SCHEMBL5373985

SCHEMBL5373985

CC(C)C[C@@H](C(N)=O)N([C@@H](c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1)C(F)F)C1(C#N)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.35
CTSL P07711 5/20 0.35
APP P05067 4/20 0.34
CYP2C19 P33261 4/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2D6 P10635 1/20 0.34
CYP3A4 P08684 3/20 0.33
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C1 Q04828 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
CTSB P07858 1/20 0.33
CTSF Q9UBX1 1/20 0.33

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
SCHEMBL3684688 0.90 CTSK (0.35) CTSKCTSLCTSBCTSFCTSS
SCHEMBL3675859 0.88 CTSK (0.33) CTSKCTSL
SCHEMBL3681721 0.88 CTSL (0.43) CTSKCTSLCTSBCTSS
SCHEMBL3681978 0.87 CTSK (0.34) CTSKCTSLCTSBCTSFCTSS
SCHEMBL3682717 0.87 HTT (0.35) CTSKCTSLCTSBCTSFCTSS
SCHEMBL3677420 0.87 CTSK (0.37) CTSKCTSLCTSBCTSFCTSS
SCHEMBL2156523 0.85 CTSK (0.40) CTSKCTSLCTSBCTSS
SCHEMBL2154981 0.84 CTSK (0.50) CTSKCTSLCTSBCTSFCTSS
SCHEMBL6092364 0.80 CTSK (0.32) CTSKCTSL
SCHEMBL3681099 0.76 CTSK (0.41) CTSKCTSLCTSBCTSFCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673336-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK CANADA INC (CA) 2014-06-04 EP claimed
US-7312353-B2 Cathespin cysteine protease inhibitors MERCK FROST CANADA & CO. (CA) 2007-12-25 US claimed
US-20060287373-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-12-21 US claimed
EP-1673336-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK CANADA INC (CA) 2014-06-04 EP disclosed
US-7312353-B2 Cathespin cysteine protease inhibitors MERCK FROST CANADA & CO. (CA) 2007-12-25 US disclosed
US-20060287373-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-12-21 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 (1 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-20060287373-A1 Cathepsin cysteine protease inhibitors CTSE, CTSS, CTSB CTSK 5/4885CTSL 9/4885APP 416/4885

“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.