SCHEMBL1832873

SCHEMBL1832873

CCC(C)OP(=O)(O)C(C)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
CXCL12 P48061 1/20 0.39
LMNA P02545 3/20 0.38
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPA1 O75762 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CA12 O43570 1/20 0.33
MMP2 P08253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL1961626 0.86 ALDH1A1 (0.39) ALDH1A1CXCL12LMNAPGK1PGK2
SCHEMBL1774643 0.80 ALDH1A1 (0.42) ALDH1A1LMNAKMT2ANPSR1MEN1
SCHEMBL895237 0.78 ALDH1A1 (0.38) ALDH1A1CXCL12LMNAHPGDKMT2A
SCHEMBL4633893 0.75 TRPA1 (0.40) ALDH1A1CXCL12LMNAPGK1PGK2
SCHEMBL8959015 0.73 PGK1 (0.41) ALDH1A1LMNAPGK1PGK2HPGD
SCHEMBL2281038 0.71 ACP3 (0.46) LMNAKMT2AMEN1
SCHEMBL1836347 0.71 SMN1; SMN2 (0.39) LMNAHTTKMT2ANPSR1MEN1
SCHEMBL11140305 0.71 POLB (0.44) LMNAPGK1PGK2HTTKMT2A
SCHEMBL10625940 0.71 PGK1 (0.42) LMNAPGK1PGK2HTTKMT2A
SCHEMBL1832869 0.70 KDM4E (0.52) ALDH1A1LMNAHPGDKMT2ANPSR1

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 ALDH1A1 209/4885CXCL12 3311/4885LMNA 3212/4885
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R ALDH1A1 209/4885CXCL12 3311/4885LMNA 3212/4885
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R ALDH1A1 209/4885CXCL12 3311/4885LMNA 3212/4885
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R ALDH1A1 209/4885CXCL12 3311/4885LMNA 3212/4885

“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.