SCHEMBL503204

SCHEMBL503204

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

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.47
HSD11B2 P80365 1/20 0.36
BRD4 O60885 1/20 0.35
HCRTR2 O43614 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NR1H2 P55055 1/20 0.30

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
SCHEMBL503203 1.00 SPHK1 (0.47) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL503205 1.00 SPHK1 (0.47) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL31564513 1.00 SPHK1 (0.47) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL31564634 1.00 SPHK1 (0.47) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL1065953 0.88 SPHK1 (0.47) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL1066083 0.88 SPHK1 (0.47) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL22318963 0.88 SPHK1 (0.47) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL1065955 0.88 SPHK1 (0.47) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL17202758 0.88 SPHK1 (0.47) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL1065951 0.88 SPHK1 (0.47) SPHK1HSD11B2BRD4HCRTR2CHRM2

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 28 patents — showing the first 20. 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-9132136-B2 Pharmaceutical combination HOFFMANN-LA ROCHE INC. (US) 2015-09-15 US disclosed
US-8729113-B2 4,5-dihydro-oxazol-2yl derivatives HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
US-8729113-B2 4,5-dihydro-oxazol-2yl derivatives HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
US-8729113-B2 4,5-dihydro-oxazol-2yl derivatives HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
US-20130345201-A1 PHARMACEUTICAL COMBINATION HOFFMANN-LA ROCHE INC. (US) 2013-12-26 US disclosed
EP-2600853-A1 COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-12 EP disclosed
US-8357712-B2 2013-01-22 US disclosed
US-8357712-B2 2013-01-22 US disclosed
US-8357712-B2 2013-01-22 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-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-02-18 US 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
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES HOFFMANN-LA ROCHE INC. 2010-02-04 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
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-20130345201-A1 PHARMACEUTICAL COMBINATION TAAR1, TAAR5, MC2R SPHK1 1278/4885HSD11B2 554/4885BRD4 967/4885

“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.