SCHEMBL5022256

SCHEMBL5022256

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.46
FAAH O00519 1/20 0.43
ALDH1A1 P00352 1/20 0.43
IDH1 O75874 8/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CYP2D6 P10635 1/20 0.40
PPARA Q07869 1/20 0.40
IL6ST P40189 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38

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
SCHEMBL6454677 1.00 NAAA (0.46) NAAAFAAHALDH1A1IDH1CSNK2B
SCHEMBL8674159 0.90 NAAA (0.43) NAAAFAAHALDH1A1IDH1CSNK2B
SCHEMBL8007307 0.90 NAAA (0.43) NAAAFAAHALDH1A1IDH1CSNK2B
SCHEMBL1750168 0.90 ALDH1A1 (0.55) NAAAFAAHALDH1A1IDH1CSNK2B
SCHEMBL1750169 0.90 ALDH1A1 (0.55) NAAAFAAHALDH1A1IDH1CSNK2B
SCHEMBL9970285 0.87 GRM5 (0.46) NAAAFAAHALDH1A1IDH1
SCHEMBL3308451 0.87 GRM5 (0.46) NAAAFAAHALDH1A1IDH1
SCHEMBL3308447 0.87 GRM5 (0.46) NAAAFAAHALDH1A1IDH1
SCHEMBL6442419 0.86 ALDH1A1 (0.46) NAAAFAAHALDH1A1IDH1CSNK2B
SCHEMBL4327486 0.86 PPARA (0.44) NAAAFAAHALDH1A1IDH1CSNK2B

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 17 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
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-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-1572203-A1 SUBSTITUTED 4-ALKOXYOXAZOL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-14 EP 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-20040157898-A1 Novel substituted oxazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-08-12 US disclosed
US-20040116487-A1 Novel oxazole derivatives HOFFMANN-LA ROCHE INC. 2004-06-17 US disclosed
WO-2004041275-A1 SUBSTITUTED 4-ALKOXYOXAZOL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 WO 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
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 (3 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 NAAA 4646/4885FAAH 3307/4885ALDH1A1 2575/4885
US-20040157898-A1 Novel substituted oxazole derivatives OXA1L, SLC5A1, GPR119 NAAA 3833/4885FAAH 3450/4885ALDH1A1 47/4885
US-20030055265-A1 Oxazole derivatives PPARD, PPARA, PPARG NAAA 3349/4885FAAH 1912/4885ALDH1A1 827/4885

“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.