SCHEMBL2376209

SCHEMBL2376209

[CH2]S(=O)(=O)Cc1nccs1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.42
CYP2C19 P33261 2/20 0.41
SLC6A3 Q01959 3/20 0.40
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
ACP1 P24666 2/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 3/20 0.34
NOS1 P29475 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2D6 P10635 3/20 0.34
MAPK1 P28482 1/20 0.34
PKM P14618 1/20 0.33
CYP3A4 P08684 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
FBP1 P09467 1/20 0.32
PDK1 Q15118 1/20 0.32

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
SCHEMBL2376213 0.79 CYP1A2 (0.47) FDPSCYP2C19SLC6A3CYP1A2CYP2C9
SCHEMBL2037446 0.79 CYP2C19 (0.45) FDPSCYP2C19SLC6A3CYP1A2CYP2C9
SCHEMBL12854153 0.78 CYP2C19 (0.41) FDPSCYP2C19SLC6A3CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL28585523 0.78 ACP1 (0.45) FDPSCYP2C19SLC6A3CYP1A2CYP2C9
SCHEMBL3511229 0.76 CYP2C19 (0.40) FDPSCYP2C19SLC6A3CYP1A2CYP2C9
SCHEMBL3511886 0.75 FDPS (0.42) FDPSCYP2C19SLC6A3CYP1A2CYP2C9
SCHEMBL28316100 0.71 FDPS (0.39) FDPSCYP2C19SLC6A3CYP1A2CYP2C9
SCHEMBL5155454 0.71 LMNA (0.49) CYP2C19SLC6A3CYP2D6MAPK1PKM
SCHEMBL244256 0.70
SCHEMBL27260 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1865940-B1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2013-02-13 EP claimed
US-7488848-B2 Alpha ketoamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-02-10 US claimed
US-20070021353-A1 Alpha ketoamide compounds as cysteine protease inhibitors APPLERA CORPORATION (US) 2007-01-25 US claimed
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
US-20070021353-A1 Alpha ketoamide compounds as cysteine protease inhibitors APPLERA CORPORATION (US) 2007-01-25 US 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 FDPS 897/4885CYP2C19 2261/4885SLC6A3 3456/4885
US-20090170909-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSS, CTSF, CTSB FDPS 897/4885CYP2C19 2261/4885SLC6A3 3456/4885
US-20070021353-A1 Alpha ketoamide compounds as cysteine protease inhibitors CTSS, CTSF, CTSB FDPS 897/4885CYP2C19 2261/4885SLC6A3 3456/4885
US-20100305331-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSS, CTSF, CTSB FDPS 897/4885CYP2C19 2261/4885SLC6A3 3456/4885

“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.