SCHEMBL5017366

SCHEMBL5017366

CCO[C@@H](Cc1ccc(OCc2nc(-c3ccccc3C)oc2C)cc1C)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.48
PPARG P37231 11/20 0.48
PPARD Q03181 2/20 0.47
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.42
ALDH1A1 P00352 4/20 0.42
TSHR P16473 3/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL5017368 1.00 PPARA (0.48) PPARAPPARGPPARDHTTMEN1
SCHEMBL5022374 0.94 PPARA (0.47) PPARAPPARGPPARDHTTMEN1
SCHEMBL5022371 0.94 PPARA (0.47) PPARAPPARGPPARDHTTMEN1
SCHEMBL5022338 0.93 PPARA (0.46) PPARAPPARGPPARDHTTMEN1
SCHEMBL5022335 0.93 PPARA (0.46) PPARAPPARGPPARDHTTMEN1
SCHEMBL5018072 0.93 PPARA (0.46) PPARAPPARGPPARDHTTMEN1
SCHEMBL5018070 0.93 PPARA (0.46) PPARAPPARGPPARDHTTMEN1
SCHEMBL5015951 0.93 PPARA (0.48) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL5015947 0.93 PPARA (0.48) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL5017421 0.91 PPARG (0.57) PPARAPPARGPPARD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551814-B1 CHIRALE OXAZOLE-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS HOFFMANN LA ROCHE (CH) 2008-07-23 EP disclosed
US-7348349-B2 Oxazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-03-25 US disclosed
US-20050267180-A1 Novel oxazole derivatives BINGGELI ALFRED 2005-12-01 US disclosed
US-6969725-B2 Oxazole derivatives HOFFMAN-LA ROCHE INC. (US) 2005-11-29 US disclosed
EP-1551814-A1 CHIRALE OXAZOLE-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-07-13 EP disclosed
US-20040116487-A1 Novel oxazole derivatives HOFFMANN-LA ROCHE INC. 2004-06-17 US disclosed
WO-2004031162-A1 CHIRALE OXAZOLE-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-15 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 (1 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-20050267180-A1 Novel oxazole derivatives NR1H3, NR1H2, PPARD PPARA 6/4885PPARG 7/4885PPARD 3/4885

“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.