SCHEMBL4041548

SCHEMBL4041548

CC(C)(C)OC(=O)N1CC=CC1COS(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.33
HCRTR2 O43614 1/20 0.33
NR1H2 P55055 6/20 0.33
GPR119 Q8TDV5 5/20 0.33
PREP P48147 1/20 0.33
NR1H3 Q13133 6/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CTSK P43235 1/20 0.32

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
SCHEMBL4041543 1.00 HSD11B1 (0.33) HSD11B1HCRTR2NR1H2GPR119PREP
SCHEMBL22950789 0.87 GPR119 (0.38) HSD11B1GPR119
SCHEMBL22950853 0.82 PREP (0.35) NR1H2PREPLMNANPSR1CTSK
SCHEMBL4045705 0.81 GPR119 (0.37) HSD11B1NR1H2GPR119PREPNR1H3
SCHEMBL24821656 0.80 NR1H2 (0.42) HSD11B1NR1H2PREPLMNANPSR1
SCHEMBL1639634 0.80 NR1H2 (0.42) HSD11B1NR1H2PREPLMNANPSR1
SCHEMBL2227084 0.80 NR1H2 (0.42) HSD11B1NR1H2PREPLMNANPSR1
SCHEMBL17137099 0.78 ALDH1A1 (0.35) PREPLMNANPSR1CTSK
SCHEMBL17137102 0.78 ALDH1A1 (0.35) PREPLMNANPSR1CTSK
SCHEMBL24909113 0.78 ALDH1A1 (0.35) PREPLMNANPSR1CTSK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS HSD11B1 832/4885HCRTR2 1558/4885NR1H2 106/4885

“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.