SCHEMBL13063285

SCHEMBL13063285

CNc1nc(C(F)(F)F)ccc1/C=C/C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.41
MIF P14174 1/20 0.38
PPARG P37231 3/20 0.36
PPARD Q03181 3/20 0.36
PPARA Q07869 2/20 0.36
MAT2A P31153 2/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 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
TAS2R14 Q9NYV8 1/20 0.35
RHOA P61586 1/20 0.34
FFAR1 O14842 1/20 0.34
LMNA P02545 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
SCHEMBL3785347 0.86 TLR7 (0.41) TRPV1MIFPPARGPPARDPPARA
SCHEMBL3785344 0.86 TLR7 (0.41) TRPV1MIFPPARGPPARDPPARA
SCHEMBL13063287 0.86 ALDH1A1 (0.40) TRPV1MAT2AKDM4EALDH1A1GAA
SCHEMBL3772730 0.85 TRPV1 (0.39) TRPV1MIFPPARGPPARDPPARA
SCHEMBL3772734 0.85 TRPV1 (0.39) TRPV1MIFPPARGPPARDPPARA
SCHEMBL3783467 0.83 PTGS1 (0.40) TRPV1MIFPPARGPPARDPPARA
SCHEMBL3783465 0.83 PTGS1 (0.40) TRPV1MIFPPARGPPARDPPARA
SCHEMBL3784106 0.83 TLR7 (0.42) TRPV1MIFPPARGPPARDPPARA
SCHEMBL3784107 0.83 TLR7 (0.42) TRPV1MIFPPARGPPARDPPARA
SCHEMBL3787445 0.82 RHOA (0.42) TRPV1KDM4EALDH1A1RXRARXRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 TRPV1 1/4885MIF 1576/4885PPARG 1777/4885

“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.