SCHEMBL744146

SCHEMBL744146

CCOc1ccccc1C1SCC(=O)N1Cc1ccc(OC)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 6/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 4/20 0.49
HCRTR2 O43614 4/20 0.48
HCRTR1 O43613 3/20 0.48
USP2 O75604 1/20 0.48
GLA P06280 1/20 0.48
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 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
SCHEMBL744391 0.89 MEN1 (0.54) KMT2AALDH1A1MEN1HCRTR2HCRTR1
SCHEMBL747125 0.88 MEN1 (0.65) KMT2AKDM4EALDH1A1GAAMAPT
SCHEMBL745810 0.88 MEN1 (0.57) SMN1; SMN2KMT2AKDM4EALDH1A1GAA
SCHEMBL744462 0.87 HCRTR2 (0.51) KMT2AALDH1A1MEN1HCRTR2HCRTR1
SCHEMBL745980 0.87 HCRTR2 (0.47) SMN1; SMN2KMT2AALDH1A1MAPTMAPK1
SCHEMBL746897 0.87 MEN1 (0.46) SMN1; SMN2KMT2AALDH1A1MAPTMAPK1
SCHEMBL743561 0.86 MEN1 (0.56) KMT2AALDH1A1MAPTMEN1HCRTR2
SCHEMBL746456 0.86 MAPT (0.54) KMT2AALDH1A1MAPTMEN1HCRTR2
SCHEMBL746074 0.85 MEN1 (0.48) SMN1; SMN2KMT2AKDM4EALDH1A1GAA
SCHEMBL747925 0.85 MEN1 (0.55) KMT2AALDH1A1MAPTMEN1HCRTR2

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 SMN1; SMN2 3126/4885KMT2A 2161/4885KDM4E 2253/4885

“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.