SCHEMBL12604103

SCHEMBL12604103

C[C@@H](NC(=O)c1coc(Oc2ccc(C(C)(C)C)cc2)n1)c1cc(F)c(NS(C)(=O)=O)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.41
TRPV1 Q8NER1 3/20 0.38
NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL1991317 1.00 PDE2A (0.41) PDE2ATRPV1NR1H4
SCHEMBL1988302 0.93 PDE2A (0.44) PDE2A
SCHEMBL12604677 0.93 PDE2A (0.44) PDE2A
SCHEMBL12605003 0.91 KCNQ3 (0.38) PDE2ATRPV1
SCHEMBL1660851 0.91 KCNQ3 (0.38) PDE2ATRPV1
SCHEMBL1986283 0.90 PDE2A (0.39) PDE2ATRPV1
SCHEMBL12603593 0.90 PDE2A (0.39) PDE2ATRPV1
SCHEMBL12563263 0.87 PDE2A (0.47) PDE2ANR1H4
SCHEMBL1988183 0.87 PDE2A (0.40) PDE2A
SCHEMBL12604672 0.86 KCNQ3 (0.42) PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307394-B1 SULPHONAMIDES AS VANILLOID RECEPTOR ANTAGONIST AMOREPACIFIC CORP (KR) 2012-09-26 EP disclosed
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
WO-2010002209-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2010-01-07 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-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 PDE2A 1939/4885TRPV1 1/4885NR1H4 265/4885

“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.