SCHEMBL745443

SCHEMBL745443

CCOc1ccccc1C1SCCC(=O)N1Cc1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 7/20 0.50
HCRTR1 O43613 6/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
THRB P10828 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PIM1 P11309 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL748178 0.91 HCRTR2 (0.48) HCRTR2HCRTR1KMT2AMEN1THRB
SCHEMBL746900 0.91 HCRTR2 (0.50) HCRTR2HCRTR1KMT2AMEN1GRIN1
SCHEMBL746037 0.89 MEN1 (0.56) HCRTR2HCRTR1KMT2AMEN1GRIN1
SCHEMBL746064 0.88 HCRTR2 (0.46) HCRTR2HCRTR1KMT2AMEN1THRB
SCHEMBL743620 0.88 HCRTR2 (0.46) HCRTR2HCRTR1THRBMAPTPOLB
SCHEMBL743873 0.87 HCRTR2 (0.47) HCRTR2HCRTR1KMT2AMEN1ALDH1A1
SCHEMBL746831 0.87 HCRTR2 (0.45) HCRTR2HCRTR1KMT2AMEN1THRB
SCHEMBL744574 0.85 ALDH1A1 (0.49) HCRTR2HCRTR1KDM4EALDH1A1MAPT
SCHEMBL744434 0.82 HCRTR2 (0.55) HCRTR2HCRTR1KMT2AMEN1GRIN1
SCHEMBL746587 0.82 HCRTR2 (0.55) HCRTR2HCRTR1KMT2AMEN1

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 2/4885HCRTR1 1/4885KMT2A 2161/4885

“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.