SCHEMBL2716010

SCHEMBL2716010

Cc1cc(C(=O)O)cc(C)c1OCC(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.39
HNF4A P41235 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TTR P02766 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
SCN4A P35499 4/20 0.36
GRM1 Q13255 2/20 0.36
PLA2G2A P14555 1/20 0.36
PLAU P00749 1/20 0.36
CYP1A2 P05177 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PPARA Q07869 1/20 0.35
THRA P10827 1/20 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
SCHEMBL2714089 0.86 POLB (0.38) POLBSCN4APLAUTHRATHRB
SCHEMBL28093564 0.83 PPARA (0.49) POLBMEN1KMT2AALDH1A1SCN4A
SCHEMBL2716177 0.83 PPARA (0.47) POLBALDH1A1TDP1PPARA
SCHEMBL9622975 0.80 PLAU (0.49) TPMTMEN1KMT2ANPC1ALDH1A1
SCHEMBL2713307 0.79 MRGPRX4 (0.49) TPMTRAB9AMRGPRX4
SCHEMBL2714128 0.78 SCN9A (0.39) ALDH1A1NR1H4
SCHEMBL19664495 0.77 GLA (0.47) POLBMEN1KMT2AALDH1A1SCN4A
SCHEMBL28840246 0.77 SCN4A (0.37) SCN4ACYP1A2
SCHEMBL2715611 0.77 TPMT (0.50) TPMTPOLBMEN1KMT2ANPC1
SCHEMBL2713185 0.76 KDM4E (0.38) POLBALDH1A1MRGPRX4SCN4APLAU

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 TPMT 412/4885HNF4A 2316/4885POLB 4126/4885

“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.