SCHEMBL1835129

SCHEMBL1835129

COC(CCC1COC(C)(C)N1C(=O)OC(C)(C)C)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
ATM Q13315 1/20 0.38
SPHK1 Q9NYA1 1/20 0.37
HSD11B2 P80365 1/20 0.37
KCNK3 O14649 2/20 0.35
KCNK9 Q9NPC2 2/20 0.35
CNR1 P21554 5/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
STS P08842 2/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DRD2 P14416 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
SCHEMBL1835124 1.00 BRD4 (0.44) BRD4ATMSPHK1HSD11B2KCNK3
SCHEMBL1835126 1.00 BRD4 (0.44) BRD4ATMSPHK1HSD11B2KCNK3
SCHEMBL1833587 0.80 BRD4 (0.47) BRD4SPHK1MEN1KMT2A
SCHEMBL1833586 0.80 BRD4 (0.47) BRD4SPHK1MEN1KMT2A
SCHEMBL1833045 0.78 BRD4 (0.45) BRD4ATMSPHK1HSD11B2MEN1
SCHEMBL1759681 0.78 SPHK1 (0.38) BRD4ATMSPHK1HSD11B2KCNK3
SCHEMBL1833043 0.78 BRD4 (0.45) BRD4ATMSPHK1HSD11B2MEN1
SCHEMBL1759679 0.78 SPHK1 (0.38) BRD4ATMSPHK1HSD11B2KCNK3
SCHEMBL7312969 0.77 BRD4 (0.45) BRD4SPHK1HSD11B2MEN1KMT2A
SCHEMBL2695273 0.77 BRD4 (0.46) BRD4SPHK1HSD11B2CNR1HTT

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 BRD4 2047/4885ATM 2670/4885SPHK1 2843/4885
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R BRD4 2047/4885ATM 2670/4885SPHK1 2843/4885
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R BRD4 2047/4885ATM 2670/4885SPHK1 2843/4885
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R BRD4 2047/4885ATM 2670/4885SPHK1 2843/4885

“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.