SCHEMBL2377950

SCHEMBL2377950

[CH2]S(=O)(=O)c1cccc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.53
KEAP1 Q14145 2/20 0.53
FFAR4 Q5NUL3 1/20 0.53
PGR P06401 3/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
MEP1B Q16820 1/20 0.49
TAS2R14 Q9NYV8 1/20 0.48
GAA P10253 1/20 0.48
ACHE P22303 1/20 0.47
HSD11B1 P28845 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
ENPP2 Q13822 1/20 0.46

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
SCHEMBL31352975 0.83 MTNR1B (0.56) NFE2L2KEAP1FFAR4PGRCA12
SCHEMBL3151230 0.83 MTNR1B (0.56) NFE2L2KEAP1FFAR4PGRCA12
SCHEMBL11155550 0.82 NFE2L2 (0.54) NFE2L2KEAP1FFAR4PGRCA12
SCHEMBL803706 0.82 NFE2L2 (0.54) NFE2L2KEAP1FFAR4PGRCA12
SCHEMBL29650302 0.82 NFE2L2 (0.54) NFE2L2KEAP1FFAR4PGRCA12
Ethylene SCHEMBL28387917 0.81 ALDH1A1 (0.53) NFE2L2KEAP1FFAR4PGRCA12
SCHEMBL13290766 0.80 NFE2L2 (0.53) NFE2L2KEAP1FFAR4PGRCA12
SCHEMBL18152 0.80 NFE2L2 (0.53) NFE2L2KEAP1FFAR4PGRCA12
SCHEMBL792467 0.80 CA2 (0.73) NFE2L2KEAP1FFAR4PGRCA12
SCHEMBL1299768 0.80 NFE2L2 (0.53) NFE2L2KEAP1FFAR4PGRCA12

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
US-8680152-B2 Cathepsin inhibitors for the treatment of bone cancer and bone cancer pain VIROBAY, INC. (US) 2014-03-25 US 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
US-20120282267-A1 CATHEPSIN INHIBITORS FOR THE TREATMENT OF BONE CANCER AND BONE CANCER PAIN VIROBAY, INC. (US) 2012-11-08 US 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
US-20070021353-A1 Alpha ketoamide compounds as cysteine protease inhibitors APPLERA CORPORATION (US) 2007-01-25 US disclosed
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 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 NFE2L2 2287/4885KEAP1 610/4885FFAR4 2929/4885
US-20090170909-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSS, CTSF, CTSB NFE2L2 2287/4885KEAP1 610/4885FFAR4 2929/4885
US-20070021353-A1 Alpha ketoamide compounds as cysteine protease inhibitors CTSS, CTSF, CTSB NFE2L2 2287/4885KEAP1 610/4885FFAR4 2929/4885
US-20120282267-A1 CATHEPSIN INHIBITORS FOR THE TREATMENT OF BONE CANCER AND BONE CANCER PAIN CTSS, CTSB, CTSK NFE2L2 523/4885KEAP1 509/4885FFAR4 4338/4885
US-20100305331-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSS, CTSF, CTSB NFE2L2 2287/4885KEAP1 610/4885FFAR4 2929/4885

“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.