SCHEMBL2714937

SCHEMBL2714937

CON(C)C(=O)c1ccc(OCC(F)F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.41
THRA P10827 1/20 0.41
ACACB O00763 1/20 0.41
PIK3CA P42336 2/20 0.39
MTOR P42345 2/20 0.39
HSP90AA1 P07900 1/20 0.38
ATM Q13315 1/20 0.37
SCN9A Q15858 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
MGLL Q99685 1/20 0.36
ABHD6 Q9BV23 1/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 2/20 0.35

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
SCHEMBL2714908 0.83 CYP2C9 (0.46) THRBTHRAPIK3CAMTORMEN1
SCHEMBL2713514 0.83 MGLL (0.37) ACACBGPR119MGLLABHD6MEN1
SCHEMBL2717584 0.82 ACACB (0.43) THRBTHRAACACBMGLLABHD6
SCHEMBL2714108 0.82 MAOB (0.47) THRBTHRAACACBMGLLABHD6
SCHEMBL2713590 0.80 SMN1; SMN2 (0.47) ACACBMGLLABHD6MEN1KMT2A
SCHEMBL5063288 0.80 MGLL (0.40) THRBTHRAACACBSCN9AMGLL
SCHEMBL27914073 0.80 THRB (0.46) THRBTHRAACACBMGLLABHD6
SCHEMBL5064584 0.76 ACACB (0.39) THRBTHRAACACBMGLLABHD6
SCHEMBL20247223 0.76 NPC1 (0.49) PIK3CAMTORKMT2ASLC6A3ALDH1A1
SCHEMBL2714242 0.75 THRA (0.40) THRBTHRAACACBMEN1KMT2A

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 THRB 294/4885THRA 393/4885ACACB 1601/4885

“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.