SCHEMBL747161

SCHEMBL747161

COc1cccc(OC)c1C1SCC(=O)N1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.59
HCRTR2 O43614 2/20 0.59
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ACHE P22303 3/20 0.46
KCNA5 P22460 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL746800 0.90 HCRTR2 (0.60) HCRTR1HCRTR2MAPTMEN1KMT2A
SCHEMBL744594 0.89 HCRTR2 (0.59) HCRTR1HCRTR2MAPTMEN1KMT2A
SCHEMBL746022 0.88 HCRTR2 (0.60) HCRTR1HCRTR2MAPTMEN1KMT2A
SCHEMBL745825 0.88 HCRTR1 (0.62) HCRTR1HCRTR2MAPTMEN1KMT2A
SCHEMBL747256 0.86 HCRTR2 (0.72) HCRTR1HCRTR2MAPTMEN1KMT2A
SCHEMBL747167 0.84 HCRTR2 (0.67) HCRTR1HCRTR2MAPTMEN1KMT2A
SCHEMBL743444 0.83 HCRTR1 (0.64) HCRTR1HCRTR2MEN1KMT2AKCNA5
SCHEMBL743443 0.82 HCRTR2 (0.61) HCRTR1HCRTR2MAPTMEN1KMT2A
SCHEMBL745129 0.82 HCRTR1 (0.64) HCRTR1HCRTR2MAPTKDM4EMEN1
SCHEMBL747918 0.82 HCRTR2 (0.67) HCRTR1HCRTR2MAPTMEN1KMT2A

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 HCRTR1 1/4885HCRTR2 2/4885MAPT 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.