SCHEMBL2714656

SCHEMBL2714656

CON(C)C(=O)c1cc(Cl)cc(OC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.49
MLYCD O95822 1/20 0.43
DDR1 Q08345 3/20 0.43
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
BRAF P15056 1/20 0.36
RAPGEF3 O95398 2/20 0.36
NOTUM Q6P988 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
GRIN2B Q13224 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
MAPT P10636 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
SCHEMBL16244840 0.83 GPBAR1 (0.48) GPBAR1MLYCDDDR1NOTUMSLC6A2
SCHEMBL2250431 0.81 TPMT (0.45) GPBAR1MLYCDSLC6A2SLC6A4PKM
SCHEMBL3158873 0.80 RAB9A (0.42) GPBAR1MLYCDPKMRAB9AMAPT
SCHEMBL4757590 0.79 MLYCD (0.49) GPBAR1MLYCDDDR1NOTUM
SCHEMBL2715788 0.79 DDR1 (0.48) GPBAR1DDR1HDAC3HDAC1HDAC2
SCHEMBL1557170 0.78 HDAC8 (0.53) MLYCDSLC6A2SLC6A4RAB9AHDAC8
SCHEMBL4654242 0.77 MLYCD (0.60) MLYCDHDAC3HDAC1HDAC2SLC6A2
SCHEMBL26146652 0.77 ALDH1A1 (0.49) MLYCDPKMRAB9AMAPT
SCHEMBL1515802 0.77 GPBAR1 (0.43) GPBAR1MLYCDPKMRAB9A
SCHEMBL30318705 0.77 MLYCD (0.43) GPBAR1MLYCDSLC6A2SLC6A4

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 GPBAR1 615/4885MLYCD 4116/4885DDR1 4308/4885

“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.