SCHEMBL2374868

SCHEMBL2374868

CC(=O)OC(C(=O)NC1CC1)C(C)(C)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
EPHX1 P07099 2/20 0.38
BTK Q06187 1/20 0.37
TSHR P16473 2/20 0.36
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
CTSK P43235 4/20 0.35
CTSS P25774 2/20 0.34
MAPK1 P28482 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL2377427 0.80 GAA (0.46) GAAHDAC4HDAC1HDAC6EPHX1
SCHEMBL7939704 0.74 EPHX1 (0.46) GAAHDAC4HDAC1HDAC6EPHX1
SCHEMBL14974206 0.71 HDAC4 (0.43) GAAHDAC4HDAC1HDAC6EPHX1
SCHEMBL14974209 0.71 HDAC4 (0.43) GAAHDAC4HDAC1HDAC6EPHX1
SCHEMBL1406894 0.71 BTK (0.61) GAAEPHX1BTKKDM1AMAOB
SCHEMBL10343938 0.71 BTK (0.61) GAAEPHX1BTKKDM1AMAOB
SCHEMBL3702157 0.71 BTK (0.61) GAAEPHX1BTKKDM1AMAOB
SCHEMBL3702152 0.71 BTK (0.61) GAAEPHX1BTKKDM1AMAOB
SCHEMBL4704612 0.70 KMT2A (0.53) GAAHDAC4HDAC1HDAC6EPHX1
Methyl Alcohol SCHEMBL28082230 0.69 BTK (0.59) GAAEPHX1BTKKDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2511257-B1 Composition comprising an alpha ketoamide compound as cysteine protease inhibitor VIROBAY INC (US) 2015-06-17 EP disclosed
US-8450373-B2 Alpha ketoamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2013-05-28 US disclosed
EP-1865940-B1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2013-02-13 EP disclosed
EP-2511257-A2 Alpha ketoamide compounds as cysteine protease inhibitors ViroBay, Inc. (US) 2012-10-17 EP disclosed
US-20120190714-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS APPLERA CORPORATION (US) 2012-07-26 US disclosed
US-8013183-B2 Alpha ketoamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2011-09-06 US disclosed
US-20100305331-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2010-12-02 US disclosed
US-7696250-B2 Alpha ketoamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-04-13 US disclosed
US-20090170909-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2009-07-02 US disclosed
US-7488848-B2 Alpha ketoamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-02-10 US disclosed
EP-1865940-A2 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Applera Corporation (US) 2007-12-19 EP disclosed
EP-1866276-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CELERA GENOMICS (US) 2007-12-19 EP disclosed
US-20070021353-A1 Alpha ketoamide compounds as cysteine protease inhibitors APPLERA CORPORATION (US) 2007-01-25 US disclosed
WO-2006102243-A2 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS APPLERA CORPORATION (US) 2006-09-28 WO disclosed
WO-2006102423-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CELERA GENOMICS (US) 2006-09-28 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 (4 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-20120190714-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSS, CTSF, CTSB GAA 38/4885HDAC4 618/4885HDAC1 288/4885
US-20090170909-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSS, CTSF, CTSB GAA 38/4885HDAC4 618/4885HDAC1 288/4885
US-20070021353-A1 Alpha ketoamide compounds as cysteine protease inhibitors CTSS, CTSF, CTSB GAA 38/4885HDAC4 618/4885HDAC1 288/4885
US-20100305331-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSS, CTSF, CTSB GAA 38/4885HDAC4 618/4885HDAC1 288/4885

“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.