SCHEMBL2716993

SCHEMBL2716993

O=C(O)c1cnc(OCC(F)(F)F)c(CO)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 1/20 0.38
MRGPRX4 Q96LA9 3/20 0.38
CNR1 P21554 1/20 0.38
RXRA P19793 2/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
PTGS2 P35354 1/20 0.37
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
HNF4A P41235 1/20 0.36
EPHX2 P34913 2/20 0.36
GPBAR1 Q8TDU6 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
MAPT P10636 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
MAP4K4 O95819 1/20 0.33

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
SCHEMBL2715678 0.88 L3MBTL1 (0.52) L3MBTL1ALDH1A1MRGPRX4CNR1RXRA
SCHEMBL2713463 0.87 L3MBTL1 (0.41) L3MBTL1CNR1POLBMAPK1PTGS2
SCHEMBL2715270 0.87 L3MBTL1 (0.51) L3MBTL1ALDH1A1MRGPRX4CNR1RXRA
SCHEMBL28129480 0.85 L3MBTL1 (0.40) L3MBTL1CNR1RXRAPOLBMAPK1
SCHEMBL20515883 0.85 L3MBTL1 (0.49) L3MBTL1ALDH1A1MRGPRX4CNR1RXRA
SCHEMBL2715284 0.82 L3MBTL1 (0.47) L3MBTL1ALDH1A1MRGPRX4CNR1RXRA
SCHEMBL2716074 0.82 L3MBTL1 (0.55) L3MBTL1ALDH1A1MRGPRX4CNR1RXRA
SCHEMBL2716927 0.82 L3MBTL1 (0.55) L3MBTL1ALDH1A1MRGPRX4CNR1RXRA
SCHEMBL2715676 0.81 L3MBTL1 (0.54) L3MBTL1ALDH1A1MRGPRX4RXRAPOLB
SCHEMBL439221 0.81 L3MBTL1 (0.54) L3MBTL1ALDH1A1MRGPRX4CNR1RXRA

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 2429/4885ALDH1A1 1358/4885MRGPRX4 950/4885

“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.