SCHEMBL2263399

SCHEMBL2263399

CC(C)C(=O)NCc1c(C(F)(F)F)cc(-c2ccccc2)n(Cc2ccccc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.41
EPHX2 P34913 2/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
CNR1 P21554 1/20 0.40
SCN9A Q15858 5/20 0.40
SCN10A Q9Y5Y9 3/20 0.40
ELANE P08246 5/20 0.40
CYP3A4 P08684 1/20 0.39
MAPK8 P45983 1/20 0.38
TACR1 P25103 1/20 0.38
PTGES O14684 1/20 0.37

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
SCHEMBL2263299 0.89 CNR1 (0.42) PPARGEPHX2ITGB1ITGA4ITGB7
SCHEMBL2266394 0.87 MTNR1A (0.43) PPARGEPHX2ITGB1ITGA4ITGB7
SCHEMBL2266775 0.85 ALDH1A1 (0.44) PPARGEPHX2CNR1ELANE
SCHEMBL2262250 0.85 EPHX2 (0.48) PPARGEPHX2
SCHEMBL2263963 0.85 L3MBTL1 (0.43) PPARGEPHX2ITGB1ITGA4ITGB7
SCHEMBL2263570 0.84 TP53 (0.43) PPARGEPHX2ITGB1ITGA4ITGB7
SCHEMBL14944146 0.83 NPC1 (0.39) PPARGEPHX2ITGB1ITGA4ITGB7
SCHEMBL12390328 0.82 CNR1 (0.44) PPARGEPHX2ITGB1ITGA4ITGB7
SCHEMBL12390431 0.78 NPC1 (0.42) PPARG
SCHEMBL12366594 0.78 CNR1 (0.45) PPARGITGB1ITGA4ITGB7CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 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-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 PPARG 25/4885EPHX2 1951/4885ITGB1 2127/4885

“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.