SCHEMBL3781944

SCHEMBL3781944

CCCCNc1nc(C(F)(F)F)ccc1C=CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
TRPV1 Q8NER1 2/20 0.40
PTGS2 P35354 2/20 0.40
PTGS1 P23219 1/20 0.39
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
TLR8 Q9NR97 5/20 0.38
TLR7 Q9NYK1 4/20 0.38
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACP1 P24666 1/20 0.36
ESR1 P03372 1/20 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
SCHEMBL3781940 1.00 KDM4E (0.43) KDM4EALDH1A1HPGDTRPV1PTGS2
SCHEMBL3784106 0.94 TLR7 (0.42) KDM4EALDH1A1HPGDTRPV1PTGS2
SCHEMBL3784107 0.94 TLR7 (0.42) KDM4EALDH1A1HPGDTRPV1PTGS2
SCHEMBL3772730 0.89 TRPV1 (0.39) KDM4EALDH1A1TRPV1GAAMEN1
SCHEMBL3772734 0.89 TRPV1 (0.39) KDM4EALDH1A1TRPV1GAAMEN1
SCHEMBL3778626 0.86 SCN9A (0.42) KDM4EALDH1A1TRPV1TLR8TLR7
SCHEMBL3778629 0.86 SCN9A (0.42) KDM4EALDH1A1TRPV1TLR8TLR7
SCHEMBL13063285 0.82 TRPV1 (0.41) KDM4EALDH1A1TRPV1GAAMEN1
SCHEMBL3776978 0.81 FABP4 (0.43) ALDH1A1TRPV1PTGS2PTGS1
SCHEMBL3776976 0.81 FABP4 (0.43) ALDH1A1TRPV1PTGS2PTGS1

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 KDM4E 4638/4885ALDH1A1 797/4885HPGD 804/4885

“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.