SCHEMBL6324977

SCHEMBL6324977

COc1ccc(-c2nc(C(F)(F)F)oc2-c2ccc(OCCN(C(N)=O)N(C)C)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.42
TAAR1 Q96RJ0 1/20 0.38
RCE1 Q9Y256 1/20 0.37
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
OXTR P30559 2/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KDR P35968 1/20 0.34
BCHE P06276 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
SCN9A Q15858 1/20 0.33
PIK3CA P42336 1/20 0.33
HDAC4 P56524 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
SCHEMBL6207246 0.83 PPARD (0.45) PPARDTAAR1RCE1PPARGPPARA
SCHEMBL6207227 0.83 PPARD (0.44) PPARDTAAR1RCE1MKNK1MKNK2
SCHEMBL6539657 0.82 PPARD (0.43) PPARDTAAR1RCE1PPARGPPARA
Hydrochloric Acid SCHEMBL6538837 0.81 PPARD (0.42) PPARDTAAR1RCE1PPARGPPARA
SCHEMBL6324981 0.80 PPARD (0.42) PPARDTAAR1RCE1PPARGPPARA
SCHEMBL6538973 0.80 PPARD (0.43) PPARDTAAR1RCE1MKNK1MKNK2
SCHEMBL6538983 0.79 PPARD (0.43) PPARDTAAR1RCE1HDAC1HDAC8
SCHEMBL6208509 0.78 PPARD (0.42) PPARDTAAR1RCE1PPARGPPARA
SCHEMBL6538834 0.78 PPARD (0.43) PPARDTAAR1RCE1PPARGPPARA
SCHEMBL6539860 0.78 PPARD (0.40) PPARDTAAR1PPARGPPARAOXTR

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.