SCHEMBL6628049

SCHEMBL6628049

CC(C)(C)OC(=O)NC(CS(=O)(=O)Cc1ccccc1)C(=O)N[C@H](CCc1ccccc1)[C@H](O)c1nccs1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.44
CTSS P25774 3/20 0.44
PTPRB P23467 3/20 0.42
BACE1 P56817 6/20 0.40
SCN9A Q15858 1/20 0.39
MMP13 P45452 2/20 0.39
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
REN P00797 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL6702656 1.00 CTSK (0.44) CTSKCTSSPTPRBBACE1SCN9A
SCHEMBL6628052 1.00 CTSK (0.44) CTSKCTSSPTPRBBACE1SCN9A
SCHEMBL6628047 1.00 CTSK (0.44) CTSKCTSSPTPRBBACE1SCN9A
SCHEMBL6674919 0.86 CTSK (0.47) CTSKCTSSPTPRBSCN9AATM
SCHEMBL6674920 0.86 CTSK (0.47) CTSKCTSSPTPRBSCN9AATM
SCHEMBL6653571 0.82 ADAM17 (0.40) CTSKCTSSPTPRBCTSLCTSB
SCHEMBL6653574 0.82 ADAM17 (0.40) CTSKCTSSPTPRBCTSLCTSB
SCHEMBL6653578 0.82 ADAM17 (0.40) CTSKCTSSPTPRBCTSLCTSB
SCHEMBL6686548 0.82 ADAM17 (0.40) CTSKCTSSPTPRBCTSLCTSB
SCHEMBL6062893 0.80 PTPRB (0.38) CTSKCTSSPTPRBMAPTATM

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 4 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 claimed
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 1/4885PTPRB 2582/4885

“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.