SCHEMBL6277656

SCHEMBL6277656

CCOCCOc1nc(-c2ccc(OC)nc2)c(-c2ccc(OCCNC(N)=O)cc2)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
RCE1 Q9Y256 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
PDE5A O76074 3/20 0.35
PDE6A P16499 2/20 0.35
KMT2A Q03164 1/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35
SCN9A Q15858 1/20 0.34
CASR P41180 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
BTK Q06187 1/20 0.34
BRAF P15056 1/20 0.33
SLC9A3 P48764 1/20 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
SCHEMBL6540382 0.90 ALDH1A1 (0.43) PPARDALDH1A1KMT2AMTNR1AMTNR1B
SCHEMBL6231226 0.84 TAAR1 (0.43) PPARDTAAR1RCE1PDE5APDE6A
SCHEMBL6539412 0.82 MTNR1A (0.45) PPARDALDH1A1KMT2AMTNR1AMTNR1B
SCHEMBL6538991 0.82 PPARD (0.39) PPARDTAAR1RCE1MKNK1MKNK2
SCHEMBL6275255 0.82 LMNA (0.41) PPARDTAAR1RCE1ALDH1A1MKNK1
SCHEMBL6540512 0.81 SCN9A (0.41) PPARDTAAR1RCE1MKNK1MKNK2
SCHEMBL6234392 0.81 PPARD (0.41) PPARDTAAR1RCE1ALDH1A1MKNK1
SCHEMBL6207227 0.81 PPARD (0.44) PPARDTAAR1RCE1MKNK1MKNK2
SCHEMBL6278231 0.81 RCE1 (0.40) PPARDTAAR1RCE1MKNK1MKNK2
SCHEMBL6539472 0.81 HRH3 (0.38) PPARDTAAR1RCE1MKNK1MKNK2

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 1747/4885TAAR1 1264/4885RCE1 337/4885

“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.