SCHEMBL4701938

SCHEMBL4701938

CNC(=O)c1ccc(-c2ccc(Cl)c(N3C[C@@H](C)C[C@H]3C(=O)NCC#N)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.36
UCHL1 P09936 1/20 0.36
AR P10275 2/20 0.36
CTSK P43235 4/20 0.35
CTSB P07858 4/20 0.35
CTSS P25774 3/20 0.35
CTSL P07711 2/20 0.35
SCN9A Q15858 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
CTSC P53634 1/20 0.34
KCNH2 Q12809 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
OTUD7B Q6GQQ9 2/20 0.33
CRBN Q96SW2 1/20 0.33
P2RX7 Q99572 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL4699988 0.90 P2RX7 (0.34) CTSKCTSBCTSSCTSLSCN9A
SCHEMBL4755888 0.89 BRD4 (0.38) USP30UCHL1CTSKCTSBCTSS
SCHEMBL4701812 0.89 BRD4 (0.38) USP30UCHL1CTSKCTSBCTSS
SCHEMBL4699857 0.87 BRD4 (0.36) CTSKCTSSCTSLCTSCHRH3
SCHEMBL4702352 0.86 KDM4E (0.36) CTSKCTSBCTSSCTSLP2RX7
SCHEMBL4704142 0.86 CTSK (0.41) CTSKCTSBCTSSCTSL
SCHEMBL4698827 0.85 CTSK (0.36) CTSKCTSBCTSSCTSCP2RX7
SCHEMBL4698830 0.85 CTSK (0.40) USP30CTSKCTSBCTSSCTSL
SCHEMBL4759027 0.84 GRM2 (0.37) CTSKCTSSCTSLHRH3P2RX7
SCHEMBL4700545 0.84 CTSK (0.36) CTSKCTSSCTSCKCNH2

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 claimed
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
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
US-20040198982-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2004-10-07 US 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 USP30 617/4885UCHL1 125/4885AR 3887/4885

“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.