SCHEMBL6539860

SCHEMBL6539860

COc1ccc(-c2nc(C(F)(F)F)oc2-c2ccc(OCCN(C(=O)O)c3ccc([N+](=O)[O-])cc3)cc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.40
RAB9A P51151 1/20 0.38
KCNH2 Q12809 5/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
PABPC1 P11940 1/20 0.35
BCHE P06276 4/20 0.34
ACHE P22303 4/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
EIF4A1 P60842 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
OXTR P30559 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
SCHEMBL6539847 1.00 PPARD (0.40) PPARDRAB9AKCNH2KMT2AMEN1
SCHEMBL6207246 0.78 PPARD (0.45) PPARDKMT2AMEN1PPARGPPARA
SCHEMBL6324977 0.78 PPARD (0.42) PPARDBCHEPPARGPPARATAAR1
SCHEMBL6539806 0.77 PPARD (0.39) PPARDBCHEPPARGPPARATAAR1
SCHEMBL6539657 0.75 PPARD (0.43) PPARDKMT2AMEN1PPARGPPARA
SCHEMBL6208509 0.75 PPARD (0.42) PPARDKMT2AMEN1PPARGPPARA
SCHEMBL6207227 0.75 PPARD (0.44) PPARDPPARGPPARATAAR1
Hydrochloric Acid SCHEMBL6538837 0.75 PPARD (0.42) PPARDKMT2AMEN1PPARGPPARA
SCHEMBL6538983 0.74 PPARD (0.43) PPARDKMT2AMEN1TAAR1
SCHEMBL6324981 0.74 PPARD (0.42) PPARDPPARGPPARATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US 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 1747/4885RAB9A 4006/4885KCNH2 1765/4885

“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.