SCHEMBL3782295

SCHEMBL3782295

CC(C)c1nc(C(F)(F)F)ccc1C=CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
MAPK1 P28482 1/20 0.40
TRPV1 Q8NER1 1/20 0.38
MIF P14174 1/20 0.38
PPARG P37231 2/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
NFKB1 P19838 1/20 0.35
CA4 P22748 1/20 0.35
MCHR1 Q99705 1/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MET P08581 1/20 0.34
RXRA P19793 1/20 0.33

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
SCHEMBL3782289 1.00 KDM4E (0.40) KDM4EMAPK1TRPV1MIFPPARG
SCHEMBL3787811 0.87 MCHR1 (0.38) KDM4EMAPK1TRPV1MIFPPARG
SCHEMBL3787814 0.87 MCHR1 (0.38) KDM4EMAPK1TRPV1MIFPPARG
SCHEMBL3095958 0.82 TRPV1 (0.52) KDM4ETRPV1MIFPPARGALDH1A1
SCHEMBL3095970 0.82 TRPV1 (0.52) KDM4ETRPV1MIFPPARGALDH1A1
SCHEMBL3785347 0.81 TLR7 (0.41) KDM4EMAPK1TRPV1MIFPPARG
SCHEMBL3785344 0.81 TLR7 (0.41) KDM4EMAPK1TRPV1MIFPPARG
SCHEMBL3776043 0.80 MEN1 (0.38) KDM4EMAPK1TRPV1MIFPPARG
SCHEMBL3787165 0.80 KDM4E (0.38) KDM4EMAPK1TRPV1MIFPPARG
SCHEMBL3785136 0.80 DPP4 (0.39) KDM4EMAPK1TRPV1MIFPPARG

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 4638/4885MAPK1 2018/4885TRPV1 1/4885

“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.