SCHEMBL3776165

SCHEMBL3776165

CS(=O)(=O)Nc1cc(F)c(CN)c(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
EPHX2 P34913 2/20 0.41
AR P10275 2/20 0.37
NR3C1 P04150 1/20 0.37
NR3C2 P08235 1/20 0.37
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
KIF11 P52732 1/20 0.33
ADORA1 P30542 1/20 0.33
KIT P10721 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LOX P28300 1/20 0.32

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
SCHEMBL955501 0.85 ADRA2C (0.49) PGRADRA2CADRA1AADRA1BEPHX2
SCHEMBL957308 0.79 ADRA2C (0.44) PGRADRA2CADRA1AADRA1BEPHX2
SCHEMBL6857747 0.74 PGR (0.52) PGRADRA2CADRA1AADRA1BAR
SCHEMBL954083 0.71 ADRA2C (0.35) PGRADRA2CADRA1AADRA1BAR
SCHEMBL3779353 0.71 KDM1A (0.38) PGRADRA2CADRA1AADRA1BNR3C1
SCHEMBL3788443 0.68 ADRA2C (0.56) PGRADRA2CADRA1AADRA1BEPHX2
SCHEMBL6574292 0.67 PGR (0.39) PGRARNR3C1NR3C2KIF11
Hydrochloric Acid SCHEMBL3778982 0.67 ADRA2C (0.55) PGRADRA2CADRA1AADRA1BEPHX2
SCHEMBL4624565 0.66 TRPV4 (0.43) PGRARNR3C1NR3C2KIT
SCHEMBL1627994 0.66 SLC22A12 (0.49) PGRARNR3C1NR3C2IKBKB

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 PGR 2513/4885ADRA2C 448/4885ADRA1A 370/4885

“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.