SCHEMBL5558778

SCHEMBL5558778

CCCOCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
NAAA Q02083 3/20 0.44
FAAH O00519 1/20 0.44
PPARA Q07869 3/20 0.42
IDH1 O75874 8/20 0.40
PPARG P37231 1/20 0.39
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
IL6ST P40189 1/20 0.38
PLA2G1B P04054 1/20 0.36
PLA2G2A P14555 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6442419 1.00 ALDH1A1 (0.46) ALDH1A1NAAAFAAHPPARAIDH1
SCHEMBL19231325 0.93 ALDH1A1 (0.47) ALDH1A1NAAAFAAHPPARAIDH1
SCHEMBL1750168 0.91 ALDH1A1 (0.55) ALDH1A1NAAAFAAHPPARAIDH1
SCHEMBL1750169 0.91 ALDH1A1 (0.55) ALDH1A1NAAAFAAHPPARAIDH1
SCHEMBL8674159 0.89 NAAA (0.43) ALDH1A1NAAAFAAHPPARAIDH1
SCHEMBL8007307 0.89 NAAA (0.43) ALDH1A1NAAAFAAHPPARAIDH1
SCHEMBL27009889 0.89 FAAH (0.49) ALDH1A1NAAAFAAHPPARAIDH1
SCHEMBL27009026 0.89 FAAH (0.49) ALDH1A1NAAAFAAHPPARAIDH1
SCHEMBL3308451 0.86 GRM5 (0.46) ALDH1A1NAAAFAAHIDH1
SCHEMBL3308447 0.86 GRM5 (0.46) ALDH1A1NAAAFAAHIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572203-B1 SUBSTITUTED 4-ALKOXYOXAZOL DERIVATIVES AS PPAR AGONISTS HOFFMANN LA ROCHE (CH) 2007-11-07 EP disclosed
US-7109225-B2 Antidiabetic agents; hypotensive agents; anticholesterol agents; antilipemic agents; antiinflammatory agents; antiproliferative agents HOFMANN-LA ROCHE INC. (US) 2006-09-19 US disclosed
EP-1392295-B1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2006-05-31 EP disclosed
US-20040157898-A1 Novel substituted oxazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-08-12 US disclosed
EP-1392295-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2004-03-03 EP disclosed
US-6642389-B2 For therapy of diabetes HOFFMANN-LA ROCHE INC. 2003-11-04 US disclosed
US-20030055265-A1 Oxazole derivatives HOFFMANN-LA ROCHE INC. 2003-03-20 US disclosed
WO-2002092084-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2002-11-21 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-20040157898-A1 Novel substituted oxazole derivatives OXA1L, SLC5A1, GPR119 ALDH1A1 47/4885NAAA 3833/4885FAAH 3450/4885
US-20030055265-A1 Oxazole derivatives PPARD, PPARA, PPARG ALDH1A1 827/4885NAAA 3349/4885FAAH 1912/4885

“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.