SCHEMBL748178

SCHEMBL748178

CCOc1ccccc1CN1C(=O)CCSC1c1ccccc1OCC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 3/20 0.48
THRB P10828 1/20 0.44
HCRTR1 O43613 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 3/20 0.39
TP53 P04637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL743620 0.94 HCRTR2 (0.46) HCRTR2THRBHCRTR1MAPTTSHR
SCHEMBL746064 0.92 HCRTR2 (0.46) HCRTR2THRBHCRTR1L3MBTL1MAPT
SCHEMBL745443 0.91 HCRTR2 (0.50) HCRTR2THRBHCRTR1MAPTKDM4E
SCHEMBL743873 0.91 HCRTR2 (0.47) HCRTR2HCRTR1MAPTMEN1KMT2A
SCHEMBL746831 0.91 HCRTR2 (0.45) HCRTR2THRBHCRTR1L3MBTL1MAPT
SCHEMBL744574 0.88 ALDH1A1 (0.49) HCRTR2HCRTR1MAPTKDM4EALDH1A1
SCHEMBL746319 0.88 MEN1 (0.51) HCRTR2THRBHCRTR1L3MBTL1MAPT
SCHEMBL746900 0.86 HCRTR2 (0.50) HCRTR2HCRTR1MEN1KMT2ATSHR
SCHEMBL744861 0.85 HCRTR2 (0.56) HCRTR2HCRTR1MEN1KMT2AALDH1A1
SCHEMBL747449 0.85 HCRTR2 (0.46) HCRTR2HCRTR1KDM4EALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088759-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-04-12 US claimed
EP-2429523-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-21 EP claimed
WO-2010131191-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-18 WO claimed
US-20120088759-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-04-12 US disclosed
EP-2429523-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-21 EP disclosed
WO-2010131191-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-18 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 (1 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-20120088759-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY4R HCRTR2 2/4885THRB 41/4885HCRTR1 1/4885

“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.