SCHEMBL1835688

SCHEMBL1835688

CC(C)(C)OC(=O)N1[C@@H](CCOS(C)(=O)=O)COC1(C)C

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.46
HSD11B2 P80365 1/20 0.35
BRD4 O60885 1/20 0.34
GPR119 Q8TDV5 13/20 0.34
HCRTR2 O43614 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 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
SCHEMBL17020050 0.89 SPHK1 (0.46) SPHK1HSD11B2BRD4GPR119HCRTR2
SCHEMBL10211270 0.85 SPHK1 (0.45) SPHK1HSD11B2BRD4GPR119HCRTR2
SCHEMBL17819877 0.85 SPHK1 (0.49) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL16545981 0.85 SPHK1 (0.49) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL10211186 0.85 SPHK1 (0.49) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL10211309 0.84 SPHK1 (0.51) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL17244141 0.84 SPHK1 (0.48) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL3464690 0.83 SPHK1 (0.42) SPHK1HSD11B2BRD4GPR119HCRTR2
SCHEMBL3464686 0.83 SPHK1 (0.42) SPHK1HSD11B2BRD4GPR119HCRTR2
SCHEMBL13964493 0.83 SPHK1 (0.47) SPHK1HSD11B2BRD4GPR119HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321287-B1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-11-11 EP disclosed
US-8729113-B2 4,5-dihydro-oxazol-2yl derivatives HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
US-8357712-B2 2013-01-22 US disclosed
US-8242153-B2 4,5-dihydro-oxazol-2YL derivatives HOFFMANN-LA ROCHE INC. (US) 2012-08-14 US disclosed
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES GALLEY GUIDO (DE) 2012-06-28 US disclosed
US-20110144333-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES GALLEY GUIDO 2011-06-16 US disclosed
EP-2321287-A1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-05-18 EP disclosed
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-02-18 US disclosed
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES HOFFMANN-LA ROCHE INC. 2010-02-04 US disclosed
WO-2010010014-A1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 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 (4 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-20110144333-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R SPHK1 2843/4885HSD11B2 474/4885BRD4 2047/4885
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R SPHK1 2843/4885HSD11B2 474/4885BRD4 2047/4885
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R SPHK1 2843/4885HSD11B2 474/4885BRD4 2047/4885
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R SPHK1 2843/4885HSD11B2 474/4885BRD4 2047/4885

“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.