SCHEMBL2716664

SCHEMBL2716664

Cc1cc(C(=O)NCc2cc(F)c(OCC(F)(F)F)nc2C)nc(NC(=O)C2CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.37
KDM4E B2RXH2 4/20 0.35
GSK3B P49841 2/20 0.35
GSK3A P49840 1/20 0.35
MMP13 P45452 2/20 0.34
CNR2 P34972 1/20 0.34
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ABL1 P00519 1/20 0.33
RECQL P46063 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
ACACB O00763 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL2714334 0.87 SCN9A (0.37) GSK3BGSK3ACNR2TSHRTRPV1
SCHEMBL2717211 0.86 GSK3B (0.38) GSK3BGSK3AMMP13CNR2TSHR
SCHEMBL2714351 0.85 EPHX2 (0.39) EPHX2KDM4EGSK3BGSK3ACNR2
SCHEMBL2716818 0.82 GSK3B (0.38) EPHX2GSK3BGSK3AMMP13CNR2
SCHEMBL2716005 0.82 GSK3B (0.39) EPHX2GSK3BGSK3AMMP13CNR2
SCHEMBL2713643 0.82 EPHX2 (0.37) EPHX2GSK3BGSK3ACNR2TSHR
SCHEMBL2715591 0.81 MMP13 (0.40) GSK3BGSK3AMMP13CNR2TSHR
SCHEMBL2714018 0.81 ALDH1A1 (0.38) EPHX2GSK3BGSK3ATSHRNPSR1
SCHEMBL2714255 0.81 GSK3B (0.54) GSK3BGSK3A
SCHEMBL2713661 0.81 EPHX2 (0.37) EPHX2KDM4EGSK3BGSK3ATSHR

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 13 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 claimed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US claimed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US claimed
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP claimed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO claimed
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
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
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 EPHX2 2460/4885KDM4E 1168/4885GSK3B 4093/4885

“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.