SCHEMBL744434

SCHEMBL744434

CCOc1ccccc1C1SCCC(=O)N1Cc1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 13/20 0.55
HCRTR1 O43613 12/20 0.46
GRIN1 Q05586 2/20 0.44
GRIN2B Q13224 2/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR7 P34969 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
SCHEMBL743619 0.90 HCRTR2 (0.54) HCRTR2HCRTR1GRIN1GRIN2BMEN1
SCHEMBL747109 0.89 HCRTR2 (0.48) HCRTR2HCRTR1MEN1KMT2A
SCHEMBL745658 0.88 HCRTR2 (0.50) HCRTR2HCRTR1MEN1KMT2A
SCHEMBL745127 0.87 HCRTR2 (0.47) HCRTR2HCRTR1GRIN1GRIN2BMEN1
SCHEMBL746900 0.86 HCRTR2 (0.50) HCRTR2HCRTR1GRIN1GRIN2BMEN1
SCHEMBL746981 0.86 HCRTR2 (0.58) HCRTR2HCRTR1
SCHEMBL746587 0.85 HCRTR2 (0.55) HCRTR2HCRTR1MEN1KMT2AHTR7
SCHEMBL744861 0.83 HCRTR2 (0.56) HCRTR2HCRTR1MEN1KMT2A
SCHEMBL745443 0.82 HCRTR2 (0.50) HCRTR2HCRTR1GRIN1GRIN2BMEN1
SCHEMBL748178 0.82 HCRTR2 (0.48) HCRTR2HCRTR1MEN1KMT2A

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 1/4885GRIN1 311/4885

“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.