SCHEMBL3299113

SCHEMBL3299113

N#Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 6/20 0.45
TRPV4 Q9HBA0 9/20 0.43
EPAS1 Q99814 2/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
AR P10275 1/20 0.40

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
SCHEMBL8618855 0.87 MAOB (0.45) EPAS1HTR1AHTR1DHTR1BAR
SCHEMBL2473229 0.83 AR (0.56) AR
SCHEMBL3682584 0.78 TRPV4 (0.42) SLC22A12TRPV4EPAS1HTR1AHTR1D
SCHEMBL28364202 0.76 TRPV4 (0.48) TRPV4AR
SCHEMBL4842836 0.76 AR (0.46) SLC22A12EPAS1AR
SCHEMBL9454958 0.76 AR (0.46) SLC22A12AR
SCHEMBL3958603 0.75 EPAS1 (0.41) SLC22A12EPAS1AR
SCHEMBL10535321 0.75 TRPV4 (0.55) SLC22A12TRPV4AR
SCHEMBL20719139 0.75 PDE4A (0.40) HTR1AHTR1DHTR1BAR
SCHEMBL31435300 0.75 EPAS1 (0.40) SLC22A12EPAS1HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100094014-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS MARTINEZ-PEREZ JOSE ANTONIO 2010-04-15 US disclosed
EP-2166003-A1 Excitatory amino acid receptor antagonists Eli Lilly & Company (US) 2010-03-24 EP disclosed
US-7601738-B2 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 2009-10-13 US disclosed
CN-1980918-A Substituted indazoles, compositions containing them, preparation and use AVENTIS PHARMA SA (FR) 2007-06-13 CN disclosed
US-7205313-B2 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 2007-04-17 US disclosed
US-20060100237-A1 Excitatory amino acid receptor antagonists ARNOLD MACKLIN B 2006-05-11 US disclosed
US-20040138254-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY 2004-07-15 US disclosed
EP-1368032-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-12-10 EP disclosed
WO-2003024453-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-03-27 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 (3 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-20040138254-A1 Excitatory amino acid receptor antagonists SLC1A2, SLC1A1, GRIN1 SLC22A12 807/4885TRPV4 371/4885EPAS1 1945/4885
US-20100094014-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS SLC1A2, SLC1A1, GRIN1 SLC22A12 807/4885TRPV4 371/4885EPAS1 1945/4885
US-20060100237-A1 Excitatory amino acid receptor antagonists SLC1A2, SLC1A1, GRIN1 SLC22A12 807/4885TRPV4 371/4885EPAS1 1945/4885

“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.