SCHEMBL1830635

SCHEMBL1830635

CC(C)(C)OC(=O)N1C(CCSc2ccc(F)cc2)COC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.39
BRD4 O60885 1/20 0.36
HSD11B2 P80365 1/20 0.35
RORC P51449 2/20 0.34
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CCR5 P51681 2/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 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
SCHEMBL1830631 1.00 SPHK1 (0.39) SPHK1BRD4HSD11B2RORCALDH1A1
SCHEMBL3617792 0.84 SPHK1 (0.41) SPHK1BRD4HSD11B2RORCHDAC1
SCHEMBL3617796 0.84 SPHK1 (0.41) SPHK1BRD4HSD11B2RORCHDAC1
SCHEMBL1832045 0.80 RORC (0.39) SPHK1BRD4RORCCCR5
SCHEMBL1832047 0.80 RORC (0.39) SPHK1BRD4RORCCCR5
SCHEMBL10211250 0.80 SPHK1 (0.46) SPHK1BRD4HSD11B2SMN1; SMN2
SCHEMBL18959547 0.79 BRD4 (0.47) SPHK1BRD4HSD11B2ALDH1A1L3MBTL1
SCHEMBL6746240 0.78 SPHK1 (0.39) SPHK1BRD4HSD11B2RORCHDAC1
SCHEMBL6750089 0.78 SPHK1 (0.39) SPHK1BRD4HSD11B2RORCHDAC1
SCHEMBL10211214 0.77 SPHK1 (0.47) SPHK1BRD4HSD11B2SMN1; SMN2

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 2843/4885BRD4 2047/4885HSD11B2 474/4885
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R SPHK1 2843/4885BRD4 2047/4885HSD11B2 474/4885
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R SPHK1 2843/4885BRD4 2047/4885HSD11B2 474/4885
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R SPHK1 2843/4885BRD4 2047/4885HSD11B2 474/4885

“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.