SCHEMBL3780898

SCHEMBL3780898

CS(=O)(=O)Nc1c(F)cc(CN)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
KIF11 P52732 1/20 0.31
ADRB3 P13945 2/20 0.31
EPHX2 P34913 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LOX P28300 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
SCHEMBL4437749 0.89 ADRA2C (0.38) ADRA2CADRA1AADRA1BKDM1AMAOA
SCHEMBL4433088 0.86 ADRA2C (0.37) ADRA2CADRA1AADRA1BKDM1AMAOA
SCHEMBL955620 0.77 ADRA2C (0.42) ADRA2CADRA1AADRA1BKDM4EALDH1A1
SCHEMBL3782008 0.76 ADRA2C (0.40) ADRA2CADRA1AADRA1B
SCHEMBL3782011 0.76 ADRA2C (0.40) ADRA2CADRA1AADRA1B
Hydrochloric Acid SCHEMBL3788306 0.76 ADRA2C (0.41) ADRA2CADRA1AADRA1BKDM4EALDH1A1
SCHEMBL3772866 0.75 ADRA2C (0.38) ADRA2CADRA1AADRA1BKDM1AMAOA
SCHEMBL3772863 0.75 ADRA2C (0.38) ADRA2CADRA1AADRA1BKDM1AMAOA
SCHEMBL957457 0.75 KDM1A (0.43) ADRA2CADRA1AADRA1BKDM1AMAOA
SCHEMBL955664 0.73 ADRA2C (0.39) ADRA2CADRA1AADRA1B

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 4 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
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 ADRA2C 448/4885ADRA1A 370/4885ADRA1B 495/4885

“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.