SCHEMBL2263963

SCHEMBL2263963

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
ELANE P08246 1/20 0.40
TP53 P04637 4/20 0.40
CNR1 P21554 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 2/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
EPHX2 P34913 2/20 0.38
PPARG P37231 1/20 0.38
ALDH1A1 P00352 1/20 0.38
EGLN1 Q9GZT9 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
SCHEMBL2266394 0.92 MTNR1A (0.43) ELANETP53CNR1NPC1RAB9A
SCHEMBL14944146 0.90 NPC1 (0.39) ELANETP53CNR1NPC1RAB9A
SCHEMBL2266775 0.89 ALDH1A1 (0.44) ELANECNR1NPC1RAB9AMAPT
SCHEMBL2263299 0.88 CNR1 (0.42) CNR1NPC1RAB9AITGB1ITGA4
SCHEMBL12390365 0.86 TP53 (0.40) TP53NPC1RAB9AMAPT
SCHEMBL2263570 0.85 TP53 (0.43) CYP2C19TP53CNR1MAPTITGB1
SCHEMBL2263399 0.85 PPARG (0.41) CYP3A4ELANECNR1ITGB1ITGA4
SCHEMBL2262250 0.85 EPHX2 (0.48) EPHX2PPARG
SCHEMBL12390328 0.82 CNR1 (0.44) CNR1RAB9AITGB1ITGA4ITGB7
SCHEMBL12366594 0.77 CNR1 (0.45) CYP3A4CNR1RAB9AITGB1ITGA4

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 L3MBTL1 3469/4885CYP3A4 197/4885CYP2C19 656/4885

“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.