SCHEMBL3949034

SCHEMBL3949034

CC(C)(C)OC(=O)N1C[C@@H](OS(C)(=O)=O)C[C@@H]1COC(=O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.33
GPR119 Q8TDV5 5/20 0.33
ABCB1 P08183 1/20 0.33
HSD11B1 P28845 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
NR1H3 Q13133 3/20 0.32
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL5397081 0.88 NR1H2 (0.36) NR1H2GPR119ABCB1HSD11B1CHRM2
SCHEMBL1902097 0.88 NR1H2 (0.36) NR1H2GPR119ABCB1HSD11B1CHRM2
SCHEMBL21466110 0.88 NR1H2 (0.36) NR1H2GPR119ABCB1HSD11B1CHRM2
SCHEMBL2522899 0.88 NR1H2 (0.36) NR1H2GPR119ABCB1HSD11B1CHRM2
SCHEMBL9383870 0.86 NR1H2 (0.35) NR1H2GPR119ABCB1HSD11B1CHRM2
SCHEMBL1439328 0.86 NR1H2 (0.35) NR1H2GPR119ABCB1HSD11B1CHRM2
SCHEMBL1440010 0.86 NR1H2 (0.35) NR1H2GPR119ABCB1HSD11B1CHRM2
SCHEMBL26789869 0.86 NR1H2 (0.35) NR1H2GPR119ABCB1HSD11B1CHRM2
SCHEMBL3952269 0.86 MMP2 (0.30)
SCHEMBL13662049 0.84 NR1H2 (0.34) NR1H2GPR119ABCB1HSD11B1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-10-22 US disclosed
WO-2009026197-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-02-26 WO disclosed
WO-2009026197-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-02-26 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-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE CTSB, CTSS, CTSF NR1H2 1784/4885GPR119 2191/4885ABCB1 632/4885

“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.