SCHEMBL4701698

SCHEMBL4701698

CC(C)CC(OCc1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1)C(=O)NCC#N

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.66
CTSK P43235 13/20 0.66
CTSL P07711 13/20 0.49
CTSB P07858 12/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43

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
SCHEMBL4699860 0.92 CTSK (0.72) CTSSCTSKCTSLCTSB
SCHEMBL4699481 0.89 CTSS (0.51) CTSSCTSKCTSLCTSB
SCHEMBL4700794 0.88 CTSS (0.62) CTSSCTSKCTSLCTSB
SCHEMBL4699823 0.84 CTSS (0.69) CTSSCTSKCTSLCTSBSMN1; SMN2
SCHEMBL4698804 0.84 CTSL (0.66) CTSSCTSKCTSLCTSB
SCHEMBL4705212 0.82 CTSS (0.71) CTSSCTSKCTSLCTSB
SCHEMBL6210052 0.81 CTSK (0.57) CTSSCTSKCTSLCTSB
SCHEMBL4701701 0.81 CTSS (0.45) CTSSCTSKCTSLCTSB
SCHEMBL4698898 0.79 CTSS (0.66) CTSSCTSKCTSLCTSB
SCHEMBL2156430 0.79 CTSL (0.73) CTSSCTSKCTSLCTSB

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 9 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 claimed
US-7012075-B2 Cathepsin cysteine protease inhibitors MERCK & CO., INC. (US) 2006-03-14 US claimed
US-20040198982-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2004-10-07 US claimed
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 CTSS 2/4885CTSK 4/4885CTSL 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.