SCHEMBL1833495

SCHEMBL1833495

CCC(C)OP(=O)(O)C(CC)c1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 4/20 0.52
NPSR1 Q6W5P4 2/20 0.42
PNMT P11086 1/20 0.42
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 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
PTPN5 P54829 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
MMP2 P08253 1/20 0.39
CES2 O00748 1/20 0.39
GPR139 Q6DWJ6 1/20 0.38
EPHX1 P07099 1/20 0.38
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL8956963 0.83 ACP3 (0.68) ACP3NPSR1PNMTMEN1ALDH1A1
SCHEMBL1837400 0.80 ACP3 (0.44) ACP3POLBLMNA
SCHEMBL1833490 0.76 NPSR1 (0.54) ACP3NPSR1PNMTMEN1ALDH1A1
SCHEMBL17969143 0.76 ACP3 (0.59) ACP3NPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL1961626 0.74 ALDH1A1 (0.39) NPSR1MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL1836347 0.72 SMN1; SMN2 (0.39) NPSR1MEN1POLBKMT2ACYP1A2
SCHEMBL18896394 0.70 PNMT (0.50) ACP3PNMTMEN1ALDH1A1POLB
SCHEMBL9401137 0.70 PGK1 (0.70) ACP3NPSR1PNMTPTPN5CA12
SCHEMBL8959015 0.70 PGK1 (0.41) NPSR1ALDH1A1POLBCA12CA1
SCHEMBL24779791 0.70 PNMT (0.53) ACP3PNMTMEN1ALDH1A1POLB

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 ACP3 2910/4885NPSR1 30/4885PNMT 840/4885
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R ACP3 2910/4885NPSR1 30/4885PNMT 840/4885
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R ACP3 2910/4885NPSR1 30/4885PNMT 840/4885
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R ACP3 2910/4885NPSR1 30/4885PNMT 840/4885

“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.