SCHEMBL6539615

SCHEMBL6539615

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.44
NR4A2 P43354 6/20 0.41
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6539118 0.86 PPARD (0.49) PPARDNR4A2
SCHEMBL6539587 0.86 PPARD (0.44) PPARDNR4A2ALDH1A1
SCHEMBL6538931 0.85 PPARD (0.48) PPARDNR4A2
SCHEMBL6540089 0.85 PPARD (0.41) PPARDNR4A2ALDH1A1MEN1HTT
SCHEMBL6538879 0.83 CA12 (0.43) PPARDNR4A2
SCHEMBL6539128 0.83 PPARD (0.42) PPARDNR4A2ALDH1A1MEN1HTT
SCHEMBL6540121 0.81 PPARD (0.52) PPARDNR4A2LMNA
SCHEMBL6539901 0.81 PPARD (0.44) PPARDNR4A2
SCHEMBL6539106 0.80 ALDH1A1 (0.44) PPARDALDH1A1MEN1HTTKMT2A
SCHEMBL6540515 0.80 PPARD (0.53) PPARDNR4A2

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 1747/4885NR4A2 883/4885LMNA 2620/4885

“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.