SCHEMBL3778167

SCHEMBL3778167

CCCc1nc(C(F)(F)F)ccc1C(C)=CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.41
NR4A1 P22736 1/20 0.41
NR4A3 Q92570 1/20 0.41
JUN P05412 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 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
SCHEMBL3778165 1.00 NR4A2 (0.41) NR4A2NR4A1NR4A3JUNNFKB1
SCHEMBL3778161 1.00 NR4A2 (0.41) NR4A2NR4A1NR4A3JUNNFKB1
SCHEMBL3777931 0.85 PDPK1 (0.36) NR4A2NR4A1NR4A3JUNNFKB1
SCHEMBL3777936 0.85 PDPK1 (0.36) NR4A2NR4A1NR4A3JUNNFKB1
SCHEMBL3777929 0.85 PDPK1 (0.36) NR4A2NR4A1NR4A3JUNNFKB1
SCHEMBL3772717 0.79 TRPV1 (0.38) JUNNFKB1NFKB2RELANPC1
SCHEMBL4433495 0.78 NPC1 (0.37) JUNNFKB1NFKB2RELANPC1
SCHEMBL13018273 0.78 TRPV1 (0.37) JUNNFKB1NFKB2RELANPC1
SCHEMBL28110449 0.77 TUBB4A (0.49) JUNNFKB1NFKB2RELANPC1
SCHEMBL21496169 0.75 GABRP (0.36) JUNNFKB1NFKB2RELANPC1

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 NR4A2 559/4885NR4A1 421/4885NR4A3 557/4885

“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.