SCHEMBL3778629

SCHEMBL3778629

COCCNc1nc(C(F)(F)F)ccc1C=CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.42
SCN10A Q9Y5Y9 2/20 0.42
CYP1A2 P05177 5/20 0.41
CYP3A4 P08684 5/20 0.41
CLK4 Q9HAZ1 3/20 0.41
USP2 O75604 3/20 0.41
CYP2C19 P33261 2/20 0.41
PPARG P37231 1/20 0.38
ALDH1A1 P00352 5/20 0.37
ALOX15 P16050 3/20 0.37
TP53 P04637 2/20 0.37
APEX1 P27695 1/20 0.37
CASP7 P55210 1/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
HSD17B10 Q99714 4/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 4/20 0.36

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
SCHEMBL3778626 1.00 SCN9A (0.42) SCN9ASCN10ACYP1A2CYP3A4CLK4
SCHEMBL3784107 0.87 TLR7 (0.42) CYP1A2PPARGALDH1A1KDM4EGAA
SCHEMBL3784106 0.87 TLR7 (0.42) CYP1A2PPARGALDH1A1KDM4EGAA
SCHEMBL3781940 0.86 KDM4E (0.43) ALDH1A1KDM4EGAAL3MBTL1MEN1
SCHEMBL3781944 0.86 KDM4E (0.43) ALDH1A1KDM4EGAAL3MBTL1MEN1
SCHEMBL3772730 0.84 TRPV1 (0.39) PPARGALDH1A1KDM4EGAAMEN1
SCHEMBL3772734 0.84 TRPV1 (0.39) PPARGALDH1A1KDM4EGAAMEN1
SCHEMBL13063285 0.80 TRPV1 (0.41) PPARGALDH1A1KDM4EGAAMEN1
SCHEMBL3776976 0.79 FABP4 (0.43) CYP2C19ALDH1A1TP53CYP2D6TRPV1
SCHEMBL3776978 0.79 FABP4 (0.43) CYP2C19ALDH1A1TP53CYP2D6TRPV1

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-2054411-B1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORP (KR) 2014-08-20 EP disclosed
US-7858621-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2010-12-28 US disclosed
EP-2054411-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2009-05-06 EP disclosed
US-20080312234-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2008-12-18 US disclosed
WO-2008013414-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2008-01-31 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-20080312234-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 SCN9A 276/4885SCN10A 225/4885CYP1A2 1436/4885

“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.