SCHEMBL746017

SCHEMBL746017

COc1ccccc1C1SC(C)C(=O)N1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.56
MAPT P10636 1/20 0.54
EHMT2 Q96KQ7 1/20 0.50
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ATM Q13315 1/20 0.47
HCRTR1 O43613 7/20 0.46
HCRTR2 O43614 7/20 0.46
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 2/20 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
SCHEMBL744392 0.88 HCRTR2 (0.50) HSD11B1MAPTEHMT2KMT2AMEN1
SCHEMBL744028 0.87 HCRTR2 (0.51) HSD11B1MAPTHCRTR1HCRTR2
SCHEMBL747865 0.87 HCRTR2 (0.55) HSD11B1MAPTEHMT2KMT2AMEN1
SCHEMBL744576 0.86 HCRTR1 (0.60) HSD11B1MAPTKMT2AMEN1HCRTR1
SCHEMBL746596 0.85 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL747506 0.80 HCRTR2 (0.50) MAPTHCRTR1HCRTR2
SCHEMBL745152 0.79 MEN1 (0.61) MAPTEHMT2KMT2AMEN1ATM
SCHEMBL747914 0.77 KMT2A (0.66) HSD11B1MAPTKMT2AMEN1ATM
SCHEMBL745850 0.76 HSD11B1 (0.65) HSD11B1MAPTEHMT2KMT2AMEN1
SCHEMBL744696 0.75 HCRTR2 (0.48) MAPTKMT2AMEN1HCRTR1HCRTR2

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 HSD11B1 568/4885MAPT 1277/4885EHMT2 2527/4885

“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.