SCHEMBL6539128

SCHEMBL6539128

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.42
HDAC8 Q9BY41 1/20 0.42
NR4A2 P43354 1/20 0.42
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL6540089 0.89 PPARD (0.41) PPARDHDAC8NR4A2ALDH1A1MEN1
SCHEMBL6540595 0.88 HDAC8 (0.47) PPARDHDAC8NR4A2ALDH1A1MTNR1A
SCHEMBL6538965 0.88 HDAC8 (0.45) PPARDHDAC8ALDH1A1MEN1KMT2A
SCHEMBL6539420 0.87 HDAC8 (0.50) PPARDHDAC8NR4A2ALDH1A1HPGD
SCHEMBL6538820 0.83 PPARD (0.48) PPARDHDAC8NR4A2ALDH1A1HTT
SCHEMBL6539460 0.83 PPARD (0.42) PPARDHDAC8NR4A2ALDH1A1HPGD
SCHEMBL6539615 0.83 PPARD (0.44) PPARDNR4A2ALDH1A1MEN1KMT2A
SCHEMBL6539192 0.81 PPARD (0.51) PPARDNR4A2ALDH1A1MEN1KMT2A
SCHEMBL6539106 0.81 ALDH1A1 (0.44) PPARDALDH1A1MEN1KMT2AMTNR1A
SCHEMBL6539893 0.80 PPARD (0.42) PPARDHDAC8NR4A2ALDH1A1MEN1

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.