SCHEMBL5018060

SCHEMBL5018060

CCO[C@@H](Cc1ccc(OCc2nc(-c3ccccc3OC)oc2C)cc1Cl)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.48
PPARG P37231 10/20 0.48
PPARD Q03181 6/20 0.43
VDR P11473 4/20 0.43
ESR1 P03372 2/20 0.43
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43
RXRA P19793 2/20 0.43
ESR2 Q92731 2/20 0.43
TP53 P04637 3/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL5018062 1.00 PPARA (0.48) PPARAPPARGPPARDVDRESR1
SCHEMBL5017378 0.93 PPARA (0.56) PPARAPPARGPPARD
SCHEMBL5017373 0.93 PPARA (0.56) PPARAPPARGPPARD
SCHEMBL5018072 0.92 PPARA (0.46) PPARAPPARGPPARDTHRBTP53
SCHEMBL5018070 0.92 PPARA (0.46) PPARAPPARGPPARDTHRBTP53
SCHEMBL5015958 0.91 PPARA (0.47) PPARAPPARGPPARDTHRBTP53
SCHEMBL5015929 0.91 PPARA (0.47) PPARAPPARGPPARDTHRBTP53
SCHEMBL5017999 0.89 PPARG (0.53) PPARAPPARGPPARD
SCHEMBL5017997 0.89 PPARG (0.53) PPARAPPARGPPARD
SCHEMBL5761536 0.88 PPARA (0.50) PPARAPPARGPPARDVDRESR1

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.