SCHEMBL4700545

SCHEMBL4700545

C[C@H]1C[C@@H](C(=O)NCC#N)N(c2cc(-c3ccc(NS(C)(=O)=O)cc3)ccc2Cl)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.36
CTSC P53634 3/20 0.36
KIF11 P52732 2/20 0.36
GRIN1 Q05586 9/20 0.35
GRIN2B Q13224 9/20 0.35
CDK9 P50750 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
CTSS P25774 1/20 0.34
KCNH2 Q12809 2/20 0.34
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL4698830 0.90 CTSK (0.40) CTSKCTSS
SCHEMBL4701812 0.88 BRD4 (0.38) CTSKCTSS
SCHEMBL4755888 0.88 BRD4 (0.38) CTSKCTSS
SCHEMBL4698827 0.86 CTSK (0.36) CTSKCTSCKIF11CTSSGAA
SCHEMBL4699857 0.86 BRD4 (0.36) CTSKCTSCCTSS
SCHEMBL4699988 0.85 P2RX7 (0.34) CTSKCTSSGAA
SCHEMBL4704142 0.85 CTSK (0.41) CTSKCTSS
SCHEMBL4701938 0.84 USP30 (0.36) CTSKCTSCCTSSKCNH2
SCHEMBL4703274 0.84 GRM2 (0.37) CTSKCTSS
SCHEMBL4759027 0.84 GRM2 (0.37) CTSKCTSS

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 5 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
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 CTSK 4/4885CTSC 14/4885KIF11 3901/4885

“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.