SCHEMBL3372084

SCHEMBL3372084

CCOC(=O)C(OCC)C(O)c1ccc(OCc2ccccc2)cc1OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45
PPARD Q03181 1/20 0.45
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
KMT2A Q03164 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAOB P27338 3/20 0.43
FFAR1 O14842 5/20 0.43
NR4A2 P43354 1/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MRGPRX4 Q96LA9 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
SCHEMBL5017527 0.92 LMNA (0.53) LMNAL3MBTL1PPARGPPARAPPARD
SCHEMBL5015936 0.90 LMNA (0.52) LMNAL3MBTL1PPARGPPARAPPARD
SCHEMBL3369824 0.87 FFAR1 (0.50) LMNAL3MBTL1PPARGPPARAPPARD
SCHEMBL5024649 0.87 FFAR1 (0.50) LMNAL3MBTL1PPARGPPARAPPARD
SCHEMBL5024641 0.87 FFAR1 (0.50) LMNAL3MBTL1PPARGPPARAPPARD
SCHEMBL3373966 0.83 LMNA (0.47) LMNAL3MBTL1PPARGPPARAPPARD
SCHEMBL3373968 0.83 LMNA (0.47) LMNAL3MBTL1PPARGPPARAPPARD
SCHEMBL3369977 0.83 LMNA (0.47) LMNAL3MBTL1PPARGPPARAPPARD
SCHEMBL5379536 0.83 KMT2A (0.53) LMNAL3MBTL1MEN1KMT2AMAOB
SCHEMBL5358921 0.82 LMNA (0.60) LMNAL3MBTL1PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537091-B1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMMA AGONISTS HOFFMANN LA ROCHE (CH) 2010-10-06 EP disclosed
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
EP-1537091-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-06-08 EP disclosed
US-6809110-B2 NONINSULIN DEPENDENT DIABETES; SUCH AS 2-ETHOXY-3-(4-(2-(5-METHYL-2-PHENYL-THIAZOL-4-YL)-ETHOXY)-BENZO(B)THIOPHEN-7-YL)-PROPIONIC ACID HOFFMANN-LA ROCHE INC. 2004-10-26 US disclosed
US-20040116487-A1 Novel oxazole derivatives HOFFMANN-LA ROCHE INC. 2004-06-17 US disclosed
US-20040110807-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2004-06-10 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
WO-2004020420-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-03-11 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 (2 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 LMNA 4163/4885L3MBTL1 2945/4885PPARG 7/4885
US-20040110807-A1 Thiazole derivatives SLC5A1, GPR119, INSR LMNA 3464/4885L3MBTL1 2050/4885PPARG 181/4885

“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.