SCHEMBL1833490

SCHEMBL1833490

CCOP(=O)(OCC)C(CC)c1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.54
LMNA P02545 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
GAA P10253 2/20 0.54
ACP3 P15309 4/20 0.50
POLB P06746 2/20 0.43
PNMT P11086 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
MC4R P32245 1/20 0.40
CES2 O00748 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL21722914 0.83 NPSR1 (0.56) NPSR1LMNAMEN1KMT2AGAA
SCHEMBL8956963 0.81 ACP3 (0.68) NPSR1LMNAMEN1KMT2AGAA
SCHEMBL8796505 0.79 NPSR1 (0.53) NPSR1LMNAMEN1KMT2AGAA
SCHEMBL20346339 0.78 POLB (0.46) LMNAACP3POLBALDH1A1KDM4E
SCHEMBL1837398 0.77 POLB (0.64) NPSR1LMNAMEN1KMT2APOLB
SCHEMBL1833495 0.76 ACP3 (0.52) NPSR1LMNAMEN1KMT2AGAA
SCHEMBL1721547 0.72 PNMT (0.51) LMNAMEN1KMT2AACP3POLB
SCHEMBL18242268 0.72 PNMT (0.51) LMNAMEN1KMT2AACP3POLB
SCHEMBL28756688 0.72 ACP3 (0.50) NPSR1LMNAMEN1KMT2AACP3
SCHEMBL19593126 0.72 PNMT (0.54) LMNAMEN1KMT2AACP3POLB

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 NPSR1 30/4885LMNA 3212/4885MEN1 2318/4885
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R NPSR1 30/4885LMNA 3212/4885MEN1 2318/4885
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R NPSR1 30/4885LMNA 3212/4885MEN1 2318/4885
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R NPSR1 30/4885LMNA 3212/4885MEN1 2318/4885

“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.