SCHEMBL6907732

SCHEMBL6907732

COC(=O)C(O)C1(NC(=O)[C@H](CC2(F)CCCC2)NC(=O)OC(C)(C)C)CCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.44
CTSL P07711 2/20 0.40
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
HDAC6 Q9UBN7 1/20 0.34
CTSK P43235 7/20 0.33
KLK5 Q9Y337 1/20 0.33
CTSB P07858 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
PPARA Q07869 1/20 0.31
ACE P12821 1/20 0.31

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
SCHEMBL14118248 0.91 CTSS (0.46) CTSSCTSLHDAC4HDAC1HDAC6
SCHEMBL6908228 0.91 CTSS (0.46) CTSSCTSLHDAC4HDAC1HDAC6
SCHEMBL15065027 0.85 CTSL (0.42) CTSSCTSLHDAC4HDAC1NFKB1
SCHEMBL9994068 0.85 CTSL (0.42) CTSSCTSLHDAC4HDAC1NFKB1
SCHEMBL15976341 0.84 CTSL (0.41) CTSSCTSLHDAC4HDAC1NFKB1
SCHEMBL1965017 0.84 CTSL (0.41) CTSSCTSLHDAC4HDAC1NFKB1
SCHEMBL15086624 0.81 CTSS (0.45) CTSSCTSLHDAC4HDAC1HDAC6
SCHEMBL14118177 0.80 CTSS (0.37) CTSSCTSLCTSKKLK5PPARA
SCHEMBL15866396 0.80 CTSS (0.44) CTSSCTSLHDAC4HDAC1HDAC6
SCHEMBL1965485 0.79 CTSS (0.42) CTSSCTSLCTSKCTSBITGB3

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-8815809-B2 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2014-08-26 US disclosed
EP-2509956-B1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2014-07-23 EP 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 2/4885CTSL 9/4885HDAC4 2792/4885

“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.