SCHEMBL2713484

SCHEMBL2713484

COc1nc(OCC(F)(F)F)c(F)cc1CO

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.46
PTGS1 P23219 3/20 0.39
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
CNR2 P34972 1/20 0.33
ACACB O00763 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
SQOR Q9Y6N5 1/20 0.32
CYP17A1 P05093 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PIK3CA P42336 1/20 0.31
RORC P51449 1/20 0.31
NUDT1 P36639 1/20 0.31
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL2715989 0.85 CD274 (0.39) PTGS2PTGS1CNR2PIK3CA
SCHEMBL2717106 0.84 PTGS2 (0.35) PTGS2PTGS1CNR2ACACBNR1H2
SCHEMBL28399167 0.79 LRRK2 (0.37) CNR2PIK3CA
SCHEMBL2717570 0.77 POLB (0.41) CNR2CYP2C9RORC
SCHEMBL2713264 0.76 CNR2 (0.39) CNR2ACACBCYP2C9
SCHEMBL2715167 0.75 L3MBTL1 (0.40) PTGS2PTGS1CNR2TRPV1
SCHEMBL16395109 0.74 PDE4A (0.40) PTGS2PDE4APDE4BPDE4CPDE4D
SCHEMBL2714980 0.74 RXFP1 (0.41) CYP2C19
SCHEMBL20719826 0.73 KDM4E (0.42) PTGS2PDE4APDE4BPDE4CPDE4D
SCHEMBL27931958 0.73 CYP1A2 (0.36) PTGS2PTGS1CNR2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106478497-B Arylamine derivatives as TTX-S blockers 拉夸里亚创药株式会社 2020-05-08 CN disclosed
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 PTGS2 1174/4885PTGS1 1439/4885PDE4A 699/4885

“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.