SCHEMBL4701199

SCHEMBL4701199

COC(=O)[C@H](CC(C)C)N(C(=O)OCC(Cl)(Cl)Cl)c1nonc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
ALOX5 P09917 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
MAPT P10636 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 1/20 0.37
WNT3A P56704 1/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NAMPT P43490 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
ESR2 Q92731 1/20 0.35
RET P07949 1/20 0.35
CCNK O75909 1/20 0.34

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
SCHEMBL4701193 1.00 CTSS (0.42) CTSSCTSKALOX5SMN1; SMN2MAPT
SCHEMBL4703376 0.88 CTSS (0.42) CTSSCTSKALOX5SMN1; SMN2MAPT
SCHEMBL4701596 0.88 CTSS (0.42) CTSSCTSKALOX5SMN1; SMN2MAPT
SCHEMBL4704295 0.88 ALOX5 (0.43) CTSSCTSKALOX5SMN1; SMN2MAPT
SCHEMBL4699062 0.84 CTSS (0.41) CTSSCTSKALOX5SMN1; SMN2MAPT
SCHEMBL4699064 0.84 CTSS (0.41) CTSSCTSKALOX5SMN1; SMN2MAPT
SCHEMBL4698634 0.76 CTSS (0.47) CTSSCTSKALOX5SMN1; SMN2MAPT
SCHEMBL4698632 0.76 CTSS (0.47) CTSSCTSKALOX5SMN1; SMN2MAPT
SCHEMBL4702061 0.76 SMN1; SMN2 (0.45) CTSSCTSKALOX5SMN1; SMN2MAPT
SCHEMBL4703117 0.75 CTSS (0.47) CTSSCTSKALOX5SMN1; SMN2MAPT

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 4/4885ALOX5 3427/4885

“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.