SCHEMBL6539653

SCHEMBL6539653

COc1ccc(-c2nc(CNC(=O)O)oc2-c2ccc(OCCN)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.51
HDAC8 Q9BY41 2/20 0.47
NR4A2 P43354 2/20 0.43
RXRA P19793 3/20 0.42
RXRB P28702 3/20 0.42
GSK3B P49841 1/20 0.40
PTGS2 P35354 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
SCHEMBL6539420 0.90 HDAC8 (0.50) PPARDHDAC8NR4A2
SCHEMBL6539706 0.89 HDAC8 (0.44) PPARDHDAC8NR4A2RXRARXRB
SCHEMBL6539861 0.86 PPARD (0.55) PPARDHDAC8NR4A2RXRARXRB
SCHEMBL6539658 0.85 PPARD (0.47) PPARDHDAC8NR4A2RXRARXRB
SCHEMBL6538946 0.84 PPARD (0.56) PPARDNR4A2RXRARXRBGSK3B
SCHEMBL6539700 0.84 SUCNR1 (0.46) PPARD
SCHEMBL6539696 0.83 PPARD (0.47) PPARDNR4A2RXRARXRBGSK3B
SCHEMBL6538931 0.82 PPARD (0.48) PPARDNR4A2RXRARXRB
SCHEMBL6540595 0.81 HDAC8 (0.47) PPARDHDAC8NR4A2
SCHEMBL6539197 0.80 PPARD (0.46) PPARDHDAC8NR4A2RXRARXRB

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 1747/4885HDAC8 1098/4885NR4A2 883/4885

“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.