SCHEMBL2948766

SCHEMBL2948766

C=Cc1cc(CN)cc(C(F)(F)F)c1NS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.34
ADRA2C P18825 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
CYP17A1 P05093 1/20 0.30

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
SCHEMBL957171 0.82 ADRA2C (0.38) ADRA2CADRA1AADRA1B
SCHEMBL2948703 0.82 FFAR4 (0.35) ADRA2CADRA1AADRA1BFFAR4
Hydrochloric Acid SCHEMBL3785391 0.81 ADRA2C (0.37) ADRA2CADRA1AADRA1B
SCHEMBL956783 0.81 KIF11 (0.43) KIF11ADRA2CADRA1AADRA1B
SCHEMBL2959737 0.80 KCNH2 (0.30) ADRA2CADRA1AADRA1B
SCHEMBL2953365 0.75 EPHX2 (0.47)
SCHEMBL5276906 0.74 TRPV1 (0.57)
SCHEMBL2956054 0.71 HDAC8 (0.42)
SCHEMBL5272928 0.71 ENPP1 (0.42) KIF11ADRA2CADRA1AFFAR4
SCHEMBL2946620 0.71 ADRB3 (0.40) ADRA2CADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861357-B1 NOVEL COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORP (KR) 2013-04-24 EP disclosed
US-7763657-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2010-07-27 US disclosed
US-20090105258-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2009-04-23 US disclosed
WO-2007142426-A1 NOVEL COMPOUNDS, ISOMER THEREOF OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2007-12-13 WO disclosed
EP-1862454-A1 Novel compounds, isomer thereof or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and a pharmaceutical composition containing the same Amorepacific Corporation (KR) 2007-12-05 EP disclosed
EP-1861357-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2007-12-05 EP disclosed
WO-2006101318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2006-09-28 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-20090105258-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, VIPR1 KIF11 4678/4885ADRA2C 472/4885ADRA1A 244/4885

“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.