SCHEMBL2716490

SCHEMBL2716490

Cc1nc(OCC(F)(F)F)c(F)cc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
CNR2 P34972 1/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
NOTUM Q6P988 1/20 0.36
DGAT1 O75907 1/20 0.35
SORT1 Q99523 3/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
RXRA P19793 1/20 0.35
HNF4A P41235 1/20 0.35
PYGL P06737 1/20 0.35
ASPH Q12797 1/20 0.35
HPGD P15428 1/20 0.35
SCN9A Q15858 1/20 0.34

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
SCHEMBL2716649 0.86 GAA (0.46) CNR2ALDH1A1HPGDSCN9A
SCHEMBL19579744 0.84 L3MBTL1 (0.38) L3MBTL1CNR2ALDH1A1MEN1KMT2A
SCHEMBL2717570 0.84 POLB (0.41) L3MBTL1CNR2KEAP1NFE2L2ALDH1A1
SCHEMBL2714199 0.83 KEAP1 (0.55) L3MBTL1KEAP1NFE2L2DGAT1MRGPRX4
SCHEMBL2717106 0.77 PTGS2 (0.35) L3MBTL1CNR2ALDH1A1MEN1KMT2A
SCHEMBL2716332 0.76 KEAP1 (0.40) CNR2KEAP1NFE2L2ALDH1A1HCRTR1
SCHEMBL2713264 0.75 CNR2 (0.39) L3MBTL1CNR2ALDH1A1MEN1KMT2A
SCHEMBL27931958 0.75 CYP1A2 (0.36) L3MBTL1CNR2ALDH1A1MEN1KMT2A
SCHEMBL2714981 0.74 GAA (0.38) CNR2KEAP1NFE2L2ALDH1A1MRGPRX4
SCHEMBL27931891 0.74 KEAP1 (0.38) CNR2KEAP1NFE2L2ALDH1A1HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO 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-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A L3MBTL1 2429/4885CNR2 360/4885KEAP1 1768/4885

“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.