SCHEMBL744392

SCHEMBL744392

CCOc1ccccc1C1SC(C)C(=O)N1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 7/20 0.50
EHMT2 Q96KQ7 1/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ATM Q13315 1/20 0.46
HCRTR1 O43613 6/20 0.45
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.43
HSD11B1 P28845 1/20 0.43
GRM2 Q14416 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 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
SCHEMBL747506 0.92 HCRTR2 (0.50) HCRTR2HCRTR1MAPTGAAGRM2
SCHEMBL746017 0.88 HSD11B1 (0.56) HCRTR2EHMT2MEN1KMT2AATM
SCHEMBL744696 0.87 HCRTR2 (0.48) HCRTR2MEN1KMT2AHCRTR1MAPT
SCHEMBL744671 0.86 HCRTR1 (0.65) HCRTR2HCRTR1
SCHEMBL744028 0.85 HCRTR2 (0.51) HCRTR2HCRTR1MAPTHSD11B1GRM2
SCHEMBL745810 0.78 MEN1 (0.57) HCRTR2MEN1KMT2AATMHCRTR1
SCHEMBL747922 0.78 MEN1 (0.48) HCRTR2EHMT2MEN1KMT2AATM
SCHEMBL747865 0.78 HCRTR2 (0.55) HCRTR2EHMT2MEN1KMT2AATM
SCHEMBL745152 0.77 MEN1 (0.61) EHMT2MEN1KMT2AATMMAPT
SCHEMBL747838 0.77 HSD11B1 (0.50) HCRTR2EHMT2MEN1KMT2AHCRTR1

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 HCRTR2 2/4885EHMT2 2527/4885MEN1 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.