SCHEMBL6801548

SCHEMBL6801548

CC(C)C[C@@H](C(N)=O)N(CC#N)c1cscc1-c1cccc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.35
CTSL P07711 6/20 0.35
CTSK P43235 6/20 0.35
CTSB P07858 3/20 0.34
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
SHMT1 P34896 2/20 0.32
SHMT2 P34897 2/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGDS O60760 1/20 0.31
PARP1 P09874 1/20 0.31

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
SCHEMBL4701830 0.89 CTSK (0.37) CTSSCTSLCTSKCTSB
SCHEMBL4702622 0.88 FYN (0.33) CTSSCTSLCTSKCTSBHPGDS
SCHEMBL4703269 0.87 ATP4A (0.36) CTSSCTSLCTSKPARP1
SCHEMBL4703612 0.82 CTSS (0.34) CTSSCTSLCTSKCTSB
SCHEMBL4701371 0.81 CTSL (0.33) CTSSCTSLCTSKCTSB
SCHEMBL4704688 0.80 CTSL (0.33) CTSSCTSLCTSKCTSBPARP1
SCHEMBL4704896 0.80 CTSK (0.34) CTSSCTSLCTSKCTSB
SCHEMBL4699887 0.79 CTSS (0.34) CTSSCTSLCTSKCTSB
SCHEMBL4703317 0.79 HRH3 (0.35) CTSSCTSLCTSKCTSB
SCHEMBL4701965 0.79 DHODH (0.34) CTSSCTSLCTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CTSS 2/4885CTSL 8/4885CTSK 4/4885

“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.