SCHEMBL1273113

SCHEMBL1273113

[CH2]S(=O)(=O)CC1CCN(C(=O)OCC)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
TP53 P04637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
ATM Q13315 1/20 0.49
HTT P42858 2/20 0.48
NOS3 P29474 1/20 0.47
NOS2 P35228 1/20 0.47
ALDH1A1 P00352 6/20 0.46
TSHR P16473 3/20 0.46
CHRM1 P11229 1/20 0.46
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL8434541 0.86 GAA (0.62) GAATP53TDP1L3MBTL1MAPT
SCHEMBL1273114 0.85 GAA (0.54) GAATP53TDP1L3MBTL1MAPT
SCHEMBL8629456 0.85 GAA (0.54) GAATP53TDP1L3MBTL1MAPT
SCHEMBL1272571 0.83 GAA (0.41) GAATP53TDP1L3MBTL1MAPT
SCHEMBL13644031 0.80 GAA (0.56) GAATP53TDP1L3MBTL1THRB
SCHEMBL1273089 0.80 GAA (0.56) GAATP53TDP1L3MBTL1MAPT
SCHEMBL1271221 0.80 EPHX2 (0.39) TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL7986406 0.80 GAA (0.59) GAATP53TDP1L3MBTL1MAPT
SCHEMBL7985393 0.78 GAA (0.57) GAATP53TDP1L3MBTL1MAPT
SCHEMBL1267275 0.78 GAA (0.61) GAATP53TDP1L3MBTL1MAPT

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866277-B1 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2014-06-25 EP claimed
US-20110281879-A1 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2011-11-17 US claimed
US-7893093-B2 Sulfonyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2011-02-22 US claimed
US-20080287446-A1 Sulfonyl Containing Compounds as Cysteine Protease Inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2008-11-20 US claimed
EP-1866277-A2 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CELERA GENOMICS (US) 2007-12-19 EP claimed
WO-2006102535-A2 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CELERA GENOMICS (US) 2006-09-28 WO claimed
EP-1866277-B1 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2014-06-25 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-20110281879-A1 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2011-11-17 US disclosed
US-8013183-B2 Alpha ketoamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2011-09-06 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
US-20080287446-A1 Sulfonyl Containing Compounds as Cysteine Protease Inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2008-11-20 US disclosed
EP-1865940-A2 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Applera Corporation (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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 38/4885TP53 2285/4885TDP1 3988/4885
US-20110281879-A1 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSS, CTSF, CTSB GAA 39/4885TP53 975/4885TDP1 3930/4885
US-20080287446-A1 Sulfonyl Containing Compounds as Cysteine Protease Inhibitors CTSS, CTSF, CTSB GAA 39/4885TP53 975/4885TDP1 3930/4885
US-20090170909-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSS, CTSF, CTSB GAA 38/4885TP53 2285/4885TDP1 3988/4885
US-20070021353-A1 Alpha ketoamide compounds as cysteine protease inhibitors CTSS, CTSF, CTSB GAA 38/4885TP53 2285/4885TDP1 3988/4885

“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.