SCHEMBL746891

SCHEMBL746891

COc1ccc(OC)c(C2SCC(=O)N2Cc2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.71
HCRTR2 O43614 17/20 0.71
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL747013 0.92 HCRTR1 (0.68) HCRTR1HCRTR2MEN1KMT2A
SCHEMBL744486 0.88 HCRTR1 (0.79) HCRTR1HCRTR2MEN1KMT2A
SCHEMBL743884 0.86 HCRTR1 (0.82) HCRTR1HCRTR2MEN1KMT2A
SCHEMBL744400 0.86 HCRTR2 (0.66) HCRTR1HCRTR2
SCHEMBL744055 0.85 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL746880 0.83 HCRTR1 (0.81) HCRTR1HCRTR2
SCHEMBL744295 0.83 HCRTR1 (0.81) HCRTR1HCRTR2
SCHEMBL747927 0.83 HCRTR1 (0.81) HCRTR1HCRTR2
SCHEMBL746413 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL745915 0.83 HCRTR1 (0.73) HCRTR1HCRTR2MEN1KMT2A

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 8 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
CN-102413828-A Thiazolidin-4-one and [1,3] -thiazinan-4-one compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2012-04-11 CN 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
CN-102413828-A Thiazolidin-4-one and [1,3] -thiazinan-4-one compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2012-04-11 CN 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 HCRTR1 1/4885HCRTR2 2/4885MEN1 1209/4885

“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.