SCHEMBL3789099

SCHEMBL3789099

O=C(O)C=Cc1ccc(C(F)(F)F)nc1OCC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
MAP3K7 O43318 1/20 0.44
TAB1 Q15750 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PPARD Q03181 3/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
CNR2 P34972 1/20 0.36
MIF P14174 1/20 0.36
RAB9A P51151 1/20 0.36
TRPV1 Q8NER1 2/20 0.35
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
APP P05067 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
SCHEMBL3779992 0.85 PTGER3 (0.51) KDM4EALDH1A1GAAMAP3K7TAB1
SCHEMBL3784070 0.85 KDM4E (0.47) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL3779993 0.85 PTGER3 (0.51) KDM4EALDH1A1GAAMAP3K7TAB1
SCHEMBL3784074 0.85 KDM4E (0.47) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL3776908 0.85 KDM4E (0.53) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL3776910 0.85 KDM4E (0.53) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL3782825 0.84 CNR2 (0.41) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL3782827 0.84 CNR2 (0.41) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL3779512 0.83 KDM4E (0.46) KDM4EALDH1A1GAAMAP3K7TAB1
SCHEMBL3779516 0.83 KDM4E (0.46) KDM4EALDH1A1GAAMAP3K7TAB1

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 797/4885GAA 3479/4885

“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.