SCHEMBL13642116

SCHEMBL13642116

COC1CC(NC(=O)OC(C)(C)C)(C(O)C(=O)NC2CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
GAA P10253 1/20 0.36
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
EPHX1 P07099 2/20 0.36
BTK Q06187 1/20 0.35
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
CTSK P43235 2/20 0.33
HSD11B1 P28845 1/20 0.31
DRD2 P14416 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
SCHEMBL6884524 0.87 MEN1 (0.35) HDAC4HDAC1GAABTKMEN1
SCHEMBL2377885 0.85 GAA (0.43) HDAC4HDAC1HDAC6GAAKDM1A
SCHEMBL1963074 0.84 MEN1 (0.37) EPHX2HDAC4HDAC1GAAKDM1A
SCHEMBL1966128 0.82 EPHX2 (0.43) EPHX2KDM1AKMT2A
SCHEMBL7924110 0.81 HDAC4 (0.37) HDAC4HDAC1HDAC6GAAKDM1A
SCHEMBL6886311 0.74
SCHEMBL8090691 0.73 HDAC4 (0.38) EPHX2HDAC4HDAC1HDAC6GAA
SCHEMBL6885607 0.73 KMT2A (0.35) HDAC4HDAC1GAABTKMEN1
SCHEMBL23684164 0.73 BTK (0.51) EPHX2GAAKDM1AMAOBEPHX1
SCHEMBL14175254 0.73 BTK (0.51) EPHX2GAAKDM1AMAOBEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859605-B2 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2014-10-14 US disclosed
US-8853281-B2 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2014-10-07 US disclosed
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
US-20120283305-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2012-11-08 US disclosed
US-20110312964-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2011-12-22 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 (3 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-20110312964-A1 CYSTEINE PROTEASE INHIBITORS CTSS, CTSB, CTSV EPHX2 341/4885HDAC4 1338/4885HDAC1 328/4885
US-20120309673-A1 CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTRB1 EPHX2 240/4885HDAC4 2792/4885HDAC1 909/4885
US-20120283305-A1 CYSTEINE PROTEASE INHIBITORS CTSS, CTSB, CTRB1 EPHX2 496/4885HDAC4 2218/4885HDAC1 716/4885

“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.