SCHEMBL4703076

SCHEMBL4703076

CC(C)CC(Nc1nn(C(=O)OC(C)(C)C)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.45
ESR2 Q92731 1/20 0.45
RET P07949 2/20 0.44
GAA P10253 1/20 0.44
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
LMNA P02545 3/20 0.42
ALK Q9UM73 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CYP2C19 P33261 1/20 0.41
CKS1B P61024 2/20 0.41
SKP1 P63208 2/20 0.41
SKP2 Q13309 2/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL4703077 1.00 CTSS (0.50) CTSSCTSKMAPTALDH1A1ESR2
SCHEMBL6231297 0.93 CTSS (0.47) CTSSCTSKMAPTALDH1A1ESR2
SCHEMBL4699262 0.90 CTSS (0.60) CTSSCTSKMAPTALDH1A1ESR2
SCHEMBL4698365 0.86 MAPT (0.48) CTSSCTSKMAPTALDH1A1RET
SCHEMBL4698362 0.86 MAPT (0.48) CTSSCTSKMAPTALDH1A1RET
SCHEMBL6231296 0.84 CTSS (0.47) CTSSCTSKMAPTALDH1A1ESR2
SCHEMBL6231300 0.84 CTSS (0.47) CTSSCTSKMAPTALDH1A1ESR2
SCHEMBL4700171 0.82 CTSS (0.50) CTSSCTSKMAPTALDH1A1ESR2
SCHEMBL4700169 0.82 CTSS (0.50) CTSSCTSKMAPTALDH1A1ESR2
SCHEMBL4703398 0.82 CTSS (0.60) CTSSCTSKMAPTALDH1A1ESR2

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 4/4885MAPT 3191/4885

“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.