SCHEMBL6255182

SCHEMBL6255182

COc1ccc(-c2nc(C(C)C)oc2-c2ccc(OCCOS(C)(=O)=O)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
NR1H2 P55055 1/20 0.34
PTGS2 P35354 2/20 0.34
KDM5B Q9UGL1 1/20 0.34
PTGER4 P35408 1/20 0.34
PPARA Q07869 2/20 0.33

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
SCHEMBL6539406 0.89 PPARD (0.37) PPARDNR1H2PTGS2PPARA
SCHEMBL6538964 0.85 PPARD (0.39) PPARDKDM4EALDH1A1PTGS2PTGER4
SCHEMBL6540424 0.85 ALDH1A1 (0.42) PPARDKDM4EALDH1A1POLBMAPT
SCHEMBL6539669 0.84 KDM4E (0.41) PPARDKDM4EALDH1A1POLBMAPT
SCHEMBL6539799 0.83 ALDH1A1 (0.40) PPARDKDM4EALDH1A1POLBMAPT
SCHEMBL6275665 0.83 PPARD (0.38) PPARDKDM4EALDH1A1POLBMAPT
SCHEMBL6207503 0.82 PPARD (0.40) PPARDKDM4EALDH1A1HPGDPTGS2
SCHEMBL6539395 0.81 POLB (0.41) PPARDKDM4EPOLBMAPT
SCHEMBL6539135 0.80 PPARD (0.39) PPARDPTGS2PPARA
SCHEMBL6539743 0.79 PPARD (0.38) PPARDPTGS2PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583749-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE Astellas Pharma Inc. (JP) 2005-10-12 EP disclosed
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US disclosed
WO-2004065374-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE ASTELLAS PHARMA INC. (JP) 2004-08-05 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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 PPARD 1747/4885KDM4E 1912/4885ALDH1A1 163/4885

“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.