SCHEMBL5017448

SCHEMBL5017448

CCO[C@@H](Cc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1C)C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.54
PPARA Q07869 15/20 0.54
PPARD Q03181 2/20 0.53
FFAR1 O14842 1/20 0.51
KDR P35968 1/20 0.50

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
SCHEMBL5017453 1.00 PPARG (0.54) PPARGPPARAPPARDFFAR1KDR
SCHEMBL5761021 0.95 PPARG (0.56) PPARGPPARAPPARDFFAR1KDR
SCHEMBL5015915 0.93 PPARG (0.54) PPARGPPARAPPARDFFAR1KDR
SCHEMBL5015916 0.93 PPARG (0.54) PPARGPPARAPPARDFFAR1KDR
SCHEMBL5017962 0.92 PPARG (0.63) PPARGPPARAPPARD
SCHEMBL5017964 0.92 PPARG (0.63) PPARGPPARAPPARD
SCHEMBL5024459 0.91 PPARG (0.54) PPARGPPARAPPARDFFAR1KDR
SCHEMBL5015921 0.91 PPARG (0.57) PPARGPPARAPPARDFFAR1KDR
SCHEMBL5017999 0.91 PPARG (0.53) PPARGPPARAPPARDFFAR1KDR
SCHEMBL5024457 0.91 PPARG (0.54) PPARGPPARAPPARDFFAR1KDR

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 PPARG 7/4885PPARA 6/4885PPARD 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.