SCHEMBL5872417

SCHEMBL5872417

CCC[C@](C)(Nc1ccccc1-c1ccc(-c2csc(N3CCN(C)CC3)n2)cc1)C(=O)NCC#N

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSB P07858 12/20 0.50
CTSS P25774 12/20 0.50
CTSL P07711 11/20 0.50
CTSK P43235 6/20 0.50
LMNA P02545 4/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
USP2 O75604 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL4702276 0.77 CTSK (0.63) CTSBCTSSCTSLCTSKLMNA
SCHEMBL5872414 0.75 CTSL (0.48) CTSBCTSSCTSLCTSKLMNA
SCHEMBL4703896 0.67 CTSB (0.70) CTSBCTSSCTSLCTSKLMNA
SCHEMBL6182464 0.67 CTSK (0.64) CTSBCTSSCTSLCTSK
SCHEMBL4704596 0.67 CTSB (0.57) CTSBCTSSCTSLCTSKMAPK1
SCHEMBL6183485 0.67 CTSB (1.00) CTSBCTSSCTSLCTSK
SCHEMBL6182475 0.67 CTSS (0.62) CTSBCTSSCTSLCTSKMAPT
SCHEMBL4714054 0.67 CTSK (0.92) CTSBCTSSCTSLCTSK
SCHEMBL12632188 0.66 SMN1; SMN2 (0.53) CTSBCTSSCTSLCTSKLMNA
SCHEMBL12670720 0.66 LMNA (0.60) CTSBCTSSCTSLCTSKLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CTSB 1/4885CTSS 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.