SCHEMBL1987158

SCHEMBL1987158

COc1cc(-c2nc(C(=O)NC(C)c3cc(F)c(NS(C)(=O)=O)c(F)c3)co2)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.39
PDE2A O00408 12/20 0.38
HDAC1 Q13547 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
WDR5 P61964 1/20 0.37
ADCY8 P40145 1/20 0.35
ADCY1 Q08828 1/20 0.35

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
SCHEMBL12697558 1.00 TRPV1 (0.39) TRPV1PDE2AHDAC1HDAC8HDAC6
SCHEMBL12697453 0.92 PDE2A (0.42) PDE2A
SCHEMBL1984584 0.92 PDE2A (0.42) PDE2A
SCHEMBL12563539 0.88 PDE2A (0.43) PDE2AHDAC1HDAC8HDAC6WDR5
SCHEMBL12604757 0.87 PDE2A (0.41) PDE2AHDAC1HDAC8HDAC6WDR5
SCHEMBL1987338 0.86 PDE2A (0.46) PDE2AHDAC1HDAC8HDAC6
SCHEMBL12603911 0.86 PDE2A (0.46) PDE2AHDAC1HDAC8HDAC6
SCHEMBL12697446 0.86 PDE4B (0.45) HDAC1HDAC8HDAC6
SCHEMBL1660566 0.86 PDE4B (0.45) HDAC1HDAC8HDAC6
SCHEMBL1989719 0.86 PDE2A (0.42) TRPV1PDE2AHDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2011-06-23 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-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 TRPV1 1/4885PDE2A 1939/4885HDAC1 2138/4885

“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.