SCHEMBL744335

SCHEMBL744335

CCOc1ccccc1C1SCC(=O)N1Cc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
HCRTR2 O43614 7/20 0.48
HCRTR1 O43613 6/20 0.48
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 1/20 0.39
NPBWR1 P48145 1/20 0.38
THRB P10828 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
SCHEMBL746319 0.89 MEN1 (0.51) HCRTR2HCRTR1MEN1KMT2AALDH1A1
SCHEMBL745132 0.86 MEN1 (0.48) HCRTR2HCRTR1MEN1KMT2AALDH1A1
SCHEMBL746897 0.86 MEN1 (0.46) HCRTR2HCRTR1MEN1KMT2AALDH1A1
SCHEMBL746037 0.85 MEN1 (0.56) HCRTR2HCRTR1MEN1KMT2A
SCHEMBL747010 0.85 MEN1 (0.47) HCRTR2HCRTR1MEN1KMT2AALDH1A1
SCHEMBL744020 0.84 ALDH1A1 (0.51) HCRTR2HCRTR1MEN1KMT2AALDH1A1
SCHEMBL744332 0.82 MEN1 (0.45) HCRTR2HCRTR1MEN1KMT2AALDH1A1
SCHEMBL744301 0.82 MEN1 (0.45) HCRTR2HCRTR1MEN1KMT2AALDH1A1
SCHEMBL744887 0.82 HCRTR2 (0.52) HCRTR2HCRTR1MEN1KMT2ATHRB
SCHEMBL745810 0.82 MEN1 (0.57) HCRTR2HCRTR1MEN1KMT2AALDH1A1

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 DRD2 490/4885DRD4 500/4885DRD3 378/4885

“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.