SCHEMBL4698980

SCHEMBL4698980

CC1(CC(Sc2ccc(Br)cc2)C(=O)NCC#N)CC1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.44
CTSS P25774 5/20 0.43
CTSL P07711 4/20 0.43
CTSB P07858 4/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
FPR3 P25089 1/20 0.41
FPR2 P25090 1/20 0.41

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
SCHEMBL4703901 0.84 KMT2A (0.55) MEN1KMT2A
SCHEMBL4704644 0.80 CTSK (0.61) CTSKCTSSCTSLCTSB
SCHEMBL4699808 0.78 CTSL (0.56) CTSKCTSSCTSLCTSB
SCHEMBL4703914 0.77 MEN1 (0.41) MEN1KMT2AFPR2
SCHEMBL4698849 0.73 CTSS (0.57) CTSKCTSSCTSLCTSBMEN1
SCHEMBL2156003 0.66 CTSL (0.74) CTSKCTSSCTSLCTSB
SCHEMBL4701868 0.66 CTSK (0.67) CTSKCTSSCTSLCTSB
SCHEMBL6211886 0.66 CTSK (0.67) CTSKCTSSCTSLCTSB
SCHEMBL4701795 0.66 CTSK (0.42) CTSKCTSSCTSLCTSB
SCHEMBL874938 0.66 HTT (0.70) MEN1KMT2AFPR2

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-1372655-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-10-01 EP disclosed
US-7012075-B2 Cathepsin cysteine protease inhibitors MERCK & CO., INC. (US) 2006-03-14 US disclosed
EP-1372655-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2005-10-12 EP disclosed
US-20040198982-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2004-10-07 US disclosed
EP-1372655-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada & Co. (CA) 2004-01-02 EP disclosed
WO-2002069901-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2002-09-12 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 (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-20040198982-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSZ CTSK 4/4885CTSS 2/4885CTSL 8/4885

“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.