SCHEMBL6674919

SCHEMBL6674919

CC(C)(C)OC(=O)N[C@@H](CCc1ccccc1)C(O)c1nccs1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.47
CTSS P25774 5/20 0.47
KLK5 Q9Y337 2/20 0.42
ADAM17 P78536 1/20 0.41
ATM Q13315 1/20 0.41
HPGD P15428 1/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 1/20 0.40
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.39
POLB P06746 1/20 0.39
PTPRB P23467 1/20 0.39
LMNA P02545 1/20 0.39
SCN9A Q15858 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
SCHEMBL6674920 1.00 CTSK (0.47) CTSKCTSSKLK5ADAM17ATM
SCHEMBL31341184 0.90 CTSK (0.41) CTSKCTSSADAM17HPGDCTSL
SCHEMBL7277293 0.89 KLK5 (0.51) CTSKCTSSKLK5ATMCTSL
SCHEMBL9725769 0.89 KLK5 (0.51) CTSKCTSSKLK5ATMCTSL
SCHEMBL7364763 0.89 KLK5 (0.51) CTSKCTSSKLK5ATMCTSL
SCHEMBL6356044 0.89 KLK5 (0.51) CTSKCTSSKLK5ATMCTSL
SCHEMBL6628052 0.86 CTSK (0.44) CTSKCTSSATMCTSLCTSB
SCHEMBL6628049 0.86 CTSK (0.44) CTSKCTSSATMCTSLCTSB
SCHEMBL6628047 0.86 CTSK (0.44) CTSKCTSSATMCTSLCTSB
SCHEMBL6702656 0.86 CTSK (0.44) CTSKCTSSATMCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US disclosed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO 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-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CTSK 8/4885CTSS 1/4885KLK5 580/4885

“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.