SCHEMBL8291561

SCHEMBL8291561

CC[C@H](NC(=O)OC(C)(C)C)C(O)c1noc(C(C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CTSK P43235 5/20 0.34
CTSS P25774 2/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2D6 P10635 1/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
KMT2A Q03164 1/20 0.33
HDAC4 P56524 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KLK5 Q9Y337 1/20 0.32
CA4 P22748 1/20 0.32
CA9 Q16790 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
SCHEMBL5397595 0.92 HDAC4 (0.41) CA1CA2CA7CTSKCTSS
SCHEMBL5397589 0.92 HDAC4 (0.41) CA1CA2CA7CTSKCTSS
SCHEMBL5394636 0.85 CA1 (0.39) CA1CA2CA7CTSKCTSS
SCHEMBL5395439 0.85 CA1 (0.39) CA1CA2CA7CTSKCTSS
SCHEMBL3873342 0.85 HDAC4 (0.34) HDAC4
SCHEMBL3882887 0.81 CA1 (0.36) CA1CA2CA7CTSKCTSS
SCHEMBL3882891 0.81 CA1 (0.36) CA1CA2CA7CTSKCTSS
SCHEMBL12400788 0.81 CA1 (0.36) CA1CA2CA7CTSKCTSS
SCHEMBL13937524 0.80 KLK5 (0.41) CTSKCTSSALDH1A1KLK5
SCHEMBL14427080 0.79 CA1 (0.40) CA1CA2CA7CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482448-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-01-27 US disclosed
US-7482448-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-01-27 US disclosed
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-08-30 US disclosed
US-7226921-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-05 US disclosed
US-7226921-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-05 US disclosed
WO-2005040142-A9 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMA INC (US) 2005-06-09 WO disclosed
WO-2005040142-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-05-06 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-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSE CA1 437/4885CA2 224/4885CA7 294/4885

“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.