SCHEMBL743620

SCHEMBL743620

CCOc1ccccc1C1SCCC(=O)N1Cc1ccccc1OC

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 10/20 0.46
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HCRTR1 O43613 9/20 0.42
TSHR P16473 1/20 0.41
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL748178 0.94 HCRTR2 (0.48) HCRTR2POLBMAPTHCRTR1TSHR
SCHEMBL744574 0.92 ALDH1A1 (0.49) HCRTR2MAPTHCRTR1TSHR
SCHEMBL746864 0.90 TSHR (0.43) HCRTR2POLBMAPTHCRTR1TSHR
SCHEMBL747449 0.89 HCRTR2 (0.46) HCRTR2HCRTR1TSHR
SCHEMBL746064 0.89 HCRTR2 (0.46) HCRTR2MAPTHCRTR1THRB
SCHEMBL746897 0.89 MEN1 (0.46) HCRTR2POLBMAPTHCRTR1USP2
SCHEMBL745443 0.88 HCRTR2 (0.50) HCRTR2POLBMAPTHCRTR1THRB
SCHEMBL743873 0.88 HCRTR2 (0.47) HCRTR2MAPTHCRTR1
SCHEMBL746831 0.88 HCRTR2 (0.45) HCRTR2MAPTHCRTR1THRB
SCHEMBL746900 0.85 HCRTR2 (0.50) HCRTR2HCRTR1TSHR

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 2/4885POLB 4850/4885MAPT 1277/4885

“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.