SCHEMBL6539893

SCHEMBL6539893

CCC(=O)NCc1nc(-c2ccc(OC)cc2)c(-c2ccc(OCCN(C(=O)O)C(C)(C)C)cc2)o1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.42
HDAC8 Q9BY41 1/20 0.40
ALDH1A1 P00352 2/20 0.37
NR4A2 P43354 2/20 0.37
TSHR P16473 1/20 0.37
BCHE P06276 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6540384 0.90 PPARD (0.42) PPARDHDAC8NR4A2BCHECNR1
SCHEMBL6540595 0.85 HDAC8 (0.47) PPARDHDAC8ALDH1A1NR4A2TSHR
SCHEMBL6539420 0.84 HDAC8 (0.50) PPARDHDAC8ALDH1A1NR4A2TSHR
SCHEMBL6539460 0.83 PPARD (0.42) PPARDHDAC8ALDH1A1NR4A2TSHR
SCHEMBL6538965 0.81 HDAC8 (0.45) PPARDHDAC8ALDH1A1MEN1KMT2A
SCHEMBL6539128 0.80 PPARD (0.42) PPARDHDAC8ALDH1A1NR4A2MEN1
SCHEMBL6538820 0.80 PPARD (0.48) PPARDHDAC8ALDH1A1NR4A2RXRA
SCHEMBL6539192 0.80 PPARD (0.51) PPARDALDH1A1NR4A2TSHRRXRA
SCHEMBL6538888 0.77 PPARD (0.38) PPARDALDH1A1NR4A2BCHECNR1
SCHEMBL6539653 0.76 PPARD (0.51) 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 1098/4885ALDH1A1 163/4885

“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.