SCHEMBL1833133

SCHEMBL1833133

COC(=O)[C@@H](N)CCOc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.54
RAB9A P51151 3/20 0.51
MAPT P10636 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
PPARG P37231 2/20 0.48
PPARA Q07869 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
PARP10 Q53GL7 1/20 0.46
KIF11 P52732 1/20 0.46
RECQL P46063 1/20 0.45
PPARD Q03181 1/20 0.45
PKM P14618 1/20 0.45
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL1833135 1.00 LTA4H (0.54) LTA4HRAB9AMAPTTDP1MTNR1A
SCHEMBL10596446 0.86 TDP1 (0.66) RAB9AMAPTTDP1MTNR1AMTNR1B
SCHEMBL10680737 0.86 TDP1 (0.66) RAB9AMAPTTDP1MTNR1AMTNR1B
SCHEMBL23811128 0.83 MTNR1A (0.51) RAB9AMAPTTDP1MTNR1AMTNR1B
SCHEMBL18127107 0.83 MTNR1A (0.53) LTA4HRAB9AMAPTMTNR1AMTNR1B
SCHEMBL11454695 0.83 L3MBTL1 (0.58) LTA4HRAB9AMAPTL3MBTL1HPGD
SCHEMBL9090603 0.83 LTA4H (0.53) LTA4HTDP1PPARGPPARAPARP10
SCHEMBL5082950 0.83 LTA4H (0.53) LTA4HTDP1PPARGPPARAPARP10
SCHEMBL5082944 0.83 LTA4H (0.53) LTA4HTDP1PPARGPPARAPARP10
SCHEMBL29045808 0.81 LTA4H (0.65) LTA4HRAB9ANPC1SMN1; SMN2LMNA

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 LTA4H 2288/4885RAB9A 1474/4885MAPT 263/4885
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R LTA4H 2288/4885RAB9A 1474/4885MAPT 263/4885
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R LTA4H 2288/4885RAB9A 1474/4885MAPT 263/4885
US-20120165294-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R LTA4H 2288/4885RAB9A 1474/4885MAPT 263/4885

“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.