SCHEMBL5022262

SCHEMBL5022262

COc1cccc(CC2COC(=O)N2C(C)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
CMA1 P23946 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
NAAA Q02083 1/20 0.42
GAA P10253 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ATM Q13315 1/20 0.41
IDH1 O75874 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HCRTR1 O43613 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3372824 0.89 NAAA (0.41) ALDH1A1NAAAGAACSNK2BCSNK2A1
SCHEMBL5564118 0.88 HCRTR1 (0.42) LTB4RLTB4R2KDM4ENAAAGAA
SCHEMBL17186412 0.84 FAAH (0.48) LTB4RLTB4R2MAPTNAAACSNK2B
SCHEMBL7423431 0.84 FAAH (0.48) LTB4RLTB4R2MAPTNAAACSNK2B
SCHEMBL548890 0.84 CYP19A1 (0.47) NAAAIDH1CSNK2BCSNK2A1
SCHEMBL9759140 0.83 NAAA (0.43) NAAASIRT2SIRT1CSNK2BCSNK2A1
SCHEMBL346461 0.82 NAAA (0.49) LTB4RLTB4R2ALDH1A1NAAAGAA
SCHEMBL346462 0.82 NAAA (0.49) LTB4RLTB4R2ALDH1A1NAAAGAA
SCHEMBL2501454 0.82 NAAA (0.48) NAAAIDH1
SCHEMBL2501460 0.82 NAAA (0.48) NAAAIDH1

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 LTB4R 534/4885LTB4R2 510/4885CMA1 3158/4885
US-20040157898-A1 Novel substituted oxazole derivatives OXA1L, SLC5A1, GPR119 LTB4R 1305/4885LTB4R2 1572/4885CMA1 1400/4885
US-20030055265-A1 Oxazole derivatives PPARD, PPARA, PPARG LTB4R 1388/4885LTB4R2 1161/4885CMA1 4809/4885

“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.