SCHEMBL744574

SCHEMBL744574

CCOc1ccccc1C1SCCC(=O)N1Cc1cccc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
HCRTR2 O43614 8/20 0.43
TSHR P16473 2/20 0.41
HCRTR1 O43613 7/20 0.41
MAPK1 P28482 2/20 0.39
RECQL P46063 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 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
SCHEMBL743620 0.92 HCRTR2 (0.46) HCRTR2TSHRHCRTR1MAPT
SCHEMBL744020 0.90 ALDH1A1 (0.51) ALDH1A1KDM4EHCRTR2TSHRHCRTR1
SCHEMBL748178 0.88 HCRTR2 (0.48) ALDH1A1KDM4EHCRTR2TSHRHCRTR1
SCHEMBL747449 0.88 HCRTR2 (0.46) ALDH1A1KDM4EHCRTR2TSHRHCRTR1
SCHEMBL746064 0.85 HCRTR2 (0.46) ALDH1A1HCRTR2HCRTR1MAPTLMNA
SCHEMBL745443 0.85 HCRTR2 (0.50) ALDH1A1KDM4EHCRTR2HCRTR1MAPT
SCHEMBL743873 0.85 HCRTR2 (0.47) ALDH1A1HCRTR2HCRTR1MAPTLMNA
SCHEMBL746864 0.84 TSHR (0.43) ALDH1A1KDM4EHCRTR2TSHRHCRTR1
SCHEMBL746900 0.82 HCRTR2 (0.50) HCRTR2TSHRHCRTR1
SCHEMBL746831 0.82 HCRTR2 (0.45) ALDH1A1HCRTR2HCRTR1MAPT

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 ALDH1A1 942/4885KDM4E 2253/4885HCRTR2 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.