SCHEMBL1832148

SCHEMBL1832148

COC(=O)C(N)CCC(c1ccccc1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
KIF11 P52732 2/20 0.45
LTA4H P09960 3/20 0.44
TSHR P16473 2/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL1832150 1.00 KMT2A (0.46) KMT2AKIF11LTA4HTSHRNR1H2
SCHEMBL27665699 0.79 KMT2A (0.51) KMT2AKIF11LTA4HMEN1ALDH1A1
SCHEMBL1198907 0.75 KIF11 (0.49) KMT2AKIF11LTA4HTSHR
SCHEMBL1198906 0.75 KIF11 (0.49) KMT2AKIF11LTA4HTSHR
Trifluoroacetic Acid SCHEMBL7023585 0.74 LTA4H (0.47) LTA4HTSHR
SCHEMBL3652941 0.74 KCNA5 (0.47) KMT2ATSHRMEN1CYP3A4CYP1A2
SCHEMBL1199643 0.73 TSHR (0.50) KIF11LTA4HTSHRCYP3A4CYP1A2
SCHEMBL1199641 0.73 TSHR (0.50) KIF11LTA4HTSHRCYP3A4CYP1A2
SCHEMBL18774958 0.73 CA1 (0.36) KIF11LTA4HTSHR
SCHEMBL3644037 0.73 KMT2A (0.51) KMT2ATSHRNR1H2NR1H3MEN1

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 KMT2A 2250/4885KIF11 2362/4885LTA4H 2288/4885
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R KMT2A 2250/4885KIF11 2362/4885LTA4H 2288/4885
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R KMT2A 2250/4885KIF11 2362/4885LTA4H 2288/4885
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R KMT2A 2250/4885KIF11 2362/4885LTA4H 2288/4885

“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.