SCHEMBL6077348

SCHEMBL6077348

CC[C@H](NC(=O)[C@@H](CC(=O)N1CCOCC1)CC(C)(C)Cc1ccccc1)C(=O)c1noc(C(F)(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.44
CTSL P07711 6/20 0.44
CTSK P43235 5/20 0.44
HDAC6 Q9UBN7 3/20 0.42
HDAC4 P56524 3/20 0.42
REN P00797 6/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL6078504 0.90 CTSS (0.41) CTSSCTSLCTSKREN
SCHEMBL6077178 0.89 CTSS (0.45) CTSSCTSLCTSKHDAC6HDAC4
SCHEMBL5955869 0.87 CTSS (0.42) CTSSCTSLCTSKHDAC6HDAC4
Benzene SCHEMBL5955881 0.85 HDAC4 (0.40) CTSSCTSLCTSKHDAC6HDAC4
SCHEMBL6077329 0.84 CTSS (0.41) CTSSCTSLCTSKHDAC6HDAC4
SCHEMBL8361671 0.84 CTSS (0.41) CTSSCTSLCTSKHDAC6HDAC4
SCHEMBL6077352 0.82 CTSS (0.40) CTSSCTSLCTSKREN
SCHEMBL6081794 0.81 CTSS (0.43) CTSSCTSLCTSKHDAC6HDAC1
SCHEMBL6081796 0.81 CTSS (0.43) CTSSCTSLCTSKHDAC6HDAC1
SCHEMBL13937593 0.81 CTSS (0.46) CTSSCTSLCTSK

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-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACUETICALS INC. 2003-06-05 US claimed
US-7030116-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-18 US disclosed
US-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACUETICALS INC. 2003-06-05 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-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CTSS 1/4885CTSL 11/4885CTSK 8/4885

“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.