SCHEMBL1065951

SCHEMBL1065951

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.47
HSD11B2 P80365 1/20 0.37
BRD4 O60885 1/20 0.37
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HCRTR2 O43614 1/20 0.34
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR1H2 P55055 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
CCR2 P41597 3/20 0.31
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
RECQL P46063 1/20 0.30
CTSK P43235 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
SCHEMBL1065953 1.00 SPHK1 (0.47) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL17202758 1.00 SPHK1 (0.47) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL22318963 1.00 SPHK1 (0.47) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL1066083 1.00 SPHK1 (0.47) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL1065955 1.00 SPHK1 (0.47) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL7269484 0.92 SPHK1 (0.47) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL10211341 0.88 SPHK1 (0.45) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL17202995 0.88 SPHK1 (0.45) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL503205 0.88 SPHK1 (0.47) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL17202997 0.88 SPHK1 (0.45) SPHK1HSD11B2BRD4CHRM2CHRM1

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 29 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-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-8357712-B2 2013-01-22 US disclosed
US-8357712-B2 2013-01-22 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-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-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
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 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 (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-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R SPHK1 2843/4885HSD11B2 474/4885BRD4 2047/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 SPHK1 499/4885HSD11B2 1296/4885BRD4 2832/4885
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.