SCHEMBL1272200

SCHEMBL1272200

CCN1CCC(CS(C)(=O)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
RORC P51449 2/20 0.38
EPHX1 P07099 2/20 0.37
HRH3 Q9Y5N1 3/20 0.37
EPHX2 P34913 1/20 0.36
HSD11B1 P28845 2/20 0.34
SMO Q99835 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34

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
SCHEMBL29252271 0.86 SMN1; SMN2 (0.46) SMN1; SMN2EPHX1HRH3EPHX2HSD11B1
SCHEMBL178287 0.82 SMN1; SMN2 (0.46) SMN1; SMN2EPHX1HRH3EPHX2HSD11B1
SCHEMBL1272197 0.82 SMN1; SMN2 (0.41) SMN1; SMN2EPHX1HRH3EPHX2HSD11B1
SCHEMBL20893419 0.82 SMN1; SMN2 (0.46) SMN1; SMN2EPHX1HRH3EPHX2HSD11B1
SCHEMBL4139358 0.82 SMN1; SMN2 (0.46) SMN1; SMN2EPHX1HRH3EPHX2HSD11B1
SCHEMBL27878118 0.81 SMN1; SMN2 (0.38) SMN1; SMN2EPHX1HRH3EPHX2HSD11B1
Fluoride SCHEMBL29252276 0.80 SMN1; SMN2 (0.45) SMN1; SMN2EPHX1HRH3EPHX2HSD11B1
SCHEMBL25619065 0.79 CYP2D6 (0.45) SMN1; SMN2RORCHRH3SMOSMYD3
SCHEMBL12439743 0.78 NCF1 (0.48) RORCHRH3SMO
SCHEMBL1271700 0.78

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-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-7893093-B2 Sulfonyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2011-02-22 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-20080306061-A1 Aminophenylsulfonamide Derivatives as Hiv Protease Inhibitor JANSSEN SCIENCES IRELAND UC (IE) 2008-12-11 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 (6 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 SMN1; SMN2 3968/4885RORC 4379/4885EPHX1 1475/4885
US-20110281879-A1 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSS, CTSF, CTSB SMN1; SMN2 3606/4885RORC 4568/4885EPHX1 1686/4885
US-20080287446-A1 Sulfonyl Containing Compounds as Cysteine Protease Inhibitors CTSS, CTSF, CTSB SMN1; SMN2 3606/4885RORC 4568/4885EPHX1 1686/4885
US-20090170909-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSS, CTSF, CTSB SMN1; SMN2 3968/4885RORC 4379/4885EPHX1 1475/4885
US-20070021353-A1 Alpha ketoamide compounds as cysteine protease inhibitors CTSS, CTSF, CTSB SMN1; SMN2 3968/4885RORC 4379/4885EPHX1 1475/4885
US-20080306061-A1 Aminophenylsulfonamide Derivatives as Hiv Protease Inhibitor DNPEP, NPEPPS, ANPEP SMN1; SMN2 4635/4885RORC 4344/4885EPHX1 2785/4885

“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.