SCHEMBL745962

SCHEMBL745962

COc1cccc(OC)c1C1SCC(=O)N1Cc1c(C)cc(C)cc1C

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.59
HCRTR1 O43613 1/20 0.59
ALDH1A1 P00352 3/20 0.45
HTR7 P34969 6/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
KCNA5 P22460 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL745949 0.88 HCRTR2 (0.66) HCRTR2HCRTR1ALDH1A1HTR7MAPK1
SCHEMBL745131 0.84 HCRTR2 (0.72) HCRTR2HCRTR1ALDH1A1MAPK1MEN1
SCHEMBL745503 0.84 HCRTR1 (0.65) HCRTR2HCRTR1ALDH1A1MEN1KMT2A
SCHEMBL747465 0.83 HCRTR2 (0.64) HCRTR2HCRTR1ALDH1A1HTR7MAPK1
SCHEMBL744046 0.82 HCRTR1 (0.60) HCRTR2HCRTR1ALDH1A1HTR7MAPK1
SCHEMBL746031 0.81 HCRTR2 (0.67) HCRTR2HCRTR1ALDH1A1MAPK1MEN1
SCHEMBL745866 0.81 HCRTR2 (0.64) HCRTR2HCRTR1ALDH1A1HTR7MEN1
SCHEMBL747775 0.81 HCRTR2 (0.73) HCRTR2HCRTR1ALDH1A1MEN1KMT2A
SCHEMBL743444 0.81 HCRTR1 (0.64) HCRTR2HCRTR1ALDH1A1HTR7MEN1
SCHEMBL747256 0.80 HCRTR2 (0.72) HCRTR2HCRTR1ALDH1A1MEN1KMT2A

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 HCRTR2 2/4885HCRTR1 1/4885ALDH1A1 942/4885

“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.