SCHEMBL746415

SCHEMBL746415

CCOc1ccccc1C1SCC(=O)N1Cc1ccc2c(c1)OCCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.47
NPSR1 Q6W5P4 3/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
HTT P42858 2/20 0.46
HCRTR2 O43614 4/20 0.45
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42
HCRTR1 O43613 3/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL745316 0.94 MGAM (0.54) MGAMNPSR1TSHRSMN1; SMN2MEN1
SCHEMBL747788 0.91 HCRTR2 (0.48) MGAMNPSR1TSHRSMN1; SMN2ALDH1A1
SCHEMBL747785 0.89 HCRTR2 (0.46) MGAMNPSR1TSHRSMN1; SMN2MEN1
SCHEMBL747691 0.85 MAPT (0.50) MGAMNPSR1TSHRSMN1; SMN2MEN1
SCHEMBL746456 0.85 MAPT (0.54) MEN1KMT2AALDH1A1MAPTHCRTR2
SCHEMBL745810 0.84 MEN1 (0.57) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL744462 0.83 HCRTR2 (0.51) MEN1KMT2AALDH1A1HCRTR2HCRTR1
SCHEMBL744146 0.83 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL743561 0.82 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTHCRTR2
SCHEMBL746826 0.82 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTHCRTR2

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 MGAM 4631/4885NPSR1 34/4885TSHR 32/4885

“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.