SCHEMBL6908367

SCHEMBL6908367

CC(C)(C)OC(=O)N[C@H](CC1(F)CCCC1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.42
CTSK P43235 7/20 0.42
CTSL P07711 2/20 0.41
PPARA Q07869 7/20 0.41
PPARG P37231 6/20 0.41
IDO1 P14902 1/20 0.40
CTSB P07858 1/20 0.40
ACE P12821 1/20 0.40
PPARD Q03181 2/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 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
SCHEMBL2341125 1.00 CTSS (0.42) CTSSCTSKCTSLPPARAPPARG
SCHEMBL1965485 1.00 CTSS (0.42) CTSSCTSKCTSLPPARAPPARG
SCHEMBL1962816 0.97 CTSS (0.42) CTSSCTSKCTSLPPARAPPARG
SCHEMBL30252080 0.94 CTSS (0.43) CTSSCTSKCTSLPPARAPPARG
SCHEMBL15976341 0.89 CTSL (0.41) CTSSCTSKCTSLCTSBITGB3
SCHEMBL1965017 0.89 CTSL (0.41) CTSSCTSKCTSLCTSBITGB3
SCHEMBL8264615 0.84 CTSK (0.43) CTSSCTSKCTSLPPARAPPARG
SCHEMBL1963143 0.84 CTSK (0.43) CTSSCTSKCTSLPPARAPPARG
SCHEMBL2364166 0.84 CTSK (0.43) CTSSCTSKCTSLPPARAPPARG
SCHEMBL6908228 0.83 CTSS (0.46) CTSSCTSKCTSLPPARAPPARG

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-8815809-B2 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2014-08-26 US disclosed
US-20120309673-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2012-12-06 US disclosed
WO-2011070539-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LIMITED (GB) 2011-06-16 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-20120309673-A1 CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTRB1 CTSS 2/4885CTSK 13/4885CTSL 9/4885

“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.