SCHEMBL1966128

SCHEMBL1966128

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.43
KDM1A O60341 1/20 0.32
KMT2A Q03164 2/20 0.31
SMYD3 Q9H7B4 2/20 0.31
LMNA P02545 1/20 0.31
BLM P54132 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL13642116 0.82 EPHX2 (0.39) EPHX2KDM1AKMT2A
SCHEMBL3229882 0.68 EPHX2 (0.51) EPHX2SMYD3
SCHEMBL3229891 0.68 EPHX2 (0.51) EPHX2SMYD3
SCHEMBL3539009 0.68 EPHX2 (0.51) EPHX2SMYD3
SCHEMBL1963074 0.67 MEN1 (0.37) EPHX2KDM1AKMT2A
SCHEMBL23610675 0.65 EPHX2 (0.45) EPHX2KMT2ASMYD3LMNABLM
SCHEMBL23610674 0.65 EPHX2 (0.45) EPHX2KMT2ASMYD3LMNABLM
SCHEMBL2377885 0.65 GAA (0.43) KDM1AKMT2A
SCHEMBL2362043 0.64
SCHEMBL1966542 0.63 EPHX2 (0.33) EPHX2

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 11 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
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
US-20120283305-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2012-11-08 US disclosed
EP-2509956-A1 CYSTEINE PROTEASE INHIBITORS Medivir UK Ltd (GB) 2012-10-17 EP disclosed
US-20110312964-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2011-12-22 US disclosed
EP-2358692-A1 CYSTEINE PROTEASE INHIBITORS Medivir UK Ltd (GB) 2011-08-24 EP disclosed
WO-2011070539-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LIMITED (GB) 2011-06-16 WO disclosed
WO-2010070615-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2010-06-24 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 (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 341/4885KDM1A 3238/4885KMT2A 2827/4885
US-20120309673-A1 CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTRB1 EPHX2 240/4885KDM1A 2997/4885KMT2A 2690/4885
US-20120283305-A1 CYSTEINE PROTEASE INHIBITORS CTSS, CTSB, CTRB1 EPHX2 496/4885KDM1A 3045/4885KMT2A 3018/4885

“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.