SCHEMBL13063271

SCHEMBL13063271

CS(=O)(=O)Nc1c(F)cc(CNC(=O)/C=C/c2ccc(CF)nc2CCc2ccccc2)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.40
MMP1 P03956 2/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
HDAC1 Q13547 3/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC2 Q92769 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
SCHEMBL13063060 0.93 MMP1 (0.39) TRPV1MMP1MMP2MMP9HDAC1
SCHEMBL13018170 0.92 TRPV1 (0.48) TRPV1
SCHEMBL3778096 0.92 TRPV1 (0.48) TRPV1
SCHEMBL3778091 0.92 TRPV1 (0.48) TRPV1
SCHEMBL13063015 0.91 MMP1 (0.37) TRPV1MMP1MMP2MMP9HDAC1
SCHEMBL3783820 0.86 TRPV1 (0.51) TRPV1
SCHEMBL13018185 0.86 TRPV1 (0.51) TRPV1
SCHEMBL3783817 0.86 TRPV1 (0.51) TRPV1
SCHEMBL13063026 0.85 TRPV1 (0.35) TRPV1
SCHEMBL13063010 0.84 TRPV1 (0.34) TRPV1

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 1/4885MMP1 2630/4885MMP2 4543/4885

“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.