SCHEMBL4701790

SCHEMBL4701790

CC(C)C[C@H](Nc1sncc1-c1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)NCC#N

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.51
CTSK P43235 6/20 0.51
CTSL P07711 10/20 0.43
CTSB P07858 8/20 0.43
CKS1B P61024 2/20 0.40
SKP1 P63208 2/20 0.40
SKP2 Q13309 2/20 0.40
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
PTPN11 Q06124 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL4701784 0.75 CTSS (0.39) CTSSCTSKCKS1BSKP1SKP2
SCHEMBL4698898 0.75 CTSS (0.66) CTSSCTSKCTSLCTSBGPR119
SCHEMBL4705212 0.75 CTSS (0.71) CTSSCTSKCTSLCTSB
SCHEMBL4699262 0.72 CTSS (0.60) CTSSCTSKCTSLCTSBMAPT
SCHEMBL4703398 0.72 CTSS (0.60) CTSSCTSKCTSLCTSBMAPT
SCHEMBL4699852 0.72 CTSL (0.73) CTSSCTSKCTSLCTSB
SCHEMBL4698982 0.72 CTSL (0.73) CTSSCTSKCTSLCTSB
SCHEMBL4700006 0.71 CTSS (0.64) CTSSCTSKCTSLCTSBMEN1
SCHEMBL4703119 0.71 CTSS (0.61) CTSSCTSKCTSLCTSBCKS1B
SCHEMBL4701890 0.71 CTSS (0.60) 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 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 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.