SCHEMBL745809

SCHEMBL745809

CCOc1ccccc1C1SCC(=O)N1Cc1ccc(Cl)cc1F

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HCRTR2 O43614 3/20 0.47
HTR7 P34969 2/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HCRTR1 O43613 2/20 0.41
ACHE P22303 3/20 0.40
CACNA1B Q00975 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL744491 0.93 MEN1 (0.51) MEN1KMT2AHCRTR2HTR7CYP1A2
SCHEMBL746040 0.90 DRD4 (0.48) MEN1KMT2AHCRTR2HTR7ACHE
SCHEMBL746037 0.88 MEN1 (0.56) MEN1KMT2AHCRTR2HTR7HCRTR1
SCHEMBL746070 0.87 HCRTR2 (0.50) MEN1KMT2AHCRTR2HTR7HCRTR1
SCHEMBL744888 0.87 MEN1 (0.50) MEN1KMT2AHCRTR2HTR7HCRTR1
SCHEMBL747925 0.85 MEN1 (0.55) MEN1KMT2AHCRTR2HCRTR1CACNA1B
SCHEMBL746826 0.85 MEN1 (0.56) MEN1KMT2AHCRTR2HTR7HCRTR1
SCHEMBL743561 0.84 MEN1 (0.56) MEN1KMT2AHCRTR2HTR7HCRTR1
SCHEMBL747010 0.83 MEN1 (0.47) MEN1KMT2AHCRTR2HTR7HCRTR1
SCHEMBL746319 0.83 MEN1 (0.51) MEN1KMT2AHCRTR2HCRTR1NPSR1

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 MEN1 1209/4885KMT2A 2161/4885HCRTR2 2/4885

“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.