SCHEMBL5872414

SCHEMBL5872414

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.48
CTSB P07858 6/20 0.48
CTSS P25774 6/20 0.48
CTSK P43235 6/20 0.48
KDM4E B2RXH2 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 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 0.84 CTSK (0.63) CTSLCTSBCTSSCTSKKDM4E
SCHEMBL5872417 0.75 CTSB (0.50) CTSLCTSBCTSSCTSKLMNA
SCHEMBL4702042 0.70 CTSK (0.70) CTSLCTSBCTSSCTSKKDM4E
SCHEMBL6182464 0.69 CTSK (0.64) CTSLCTSBCTSSCTSK
SCHEMBL2156137 0.68 CTSL (0.63) CTSLCTSBCTSSCTSK
SCHEMBL14183837 0.68 SMN1; SMN2 (0.72) KDM4ELMNAMEN1KMT2AMAPK1
SCHEMBL6182475 0.67 CTSS (0.62) CTSLCTSBCTSSCTSKMAPT
SCHEMBL4714054 0.67 CTSK (0.92) CTSLCTSBCTSSCTSK
SCHEMBL11067938 0.66 RAB9A (0.64) LMNAMEN1KMT2AMAPK1L3MBTL1
SCHEMBL4718661 0.66 CTSK (0.97) CTSLCTSBCTSSCTSK

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 CTSL 8/4885CTSB 1/4885CTSS 2/4885

“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.