SCHEMBL6808976

SCHEMBL6808976

NS(=O)(=O)c1ccc(-c2c(F)c(F)c(F)c(F)c2-c2cccc(F)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.54
CA2 P00918 8/20 0.54
CA9 Q16790 8/20 0.54
CA1 P00915 6/20 0.51
PTGS2 P35354 10/20 0.50
PTGS1 P23219 6/20 0.49
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL6726154 0.85 PTGS2 (0.53) CA12CA2CA9CA1PTGS2
SCHEMBL6725794 0.85 CA2 (0.68) CA12CA2CA9CA1PTGS2
SCHEMBL28129527 0.85 CA2 (0.75) CA12CA2CA9CA1PTGS2
SCHEMBL6725866 0.85 CA2 (0.57) CA12CA2CA9CA1PTGS2
SCHEMBL6723983 0.85 CA2 (0.57) CA12CA2CA9CA1PTGS2
SCHEMBL8770544 0.84 MAOA (0.59) CA12CA2CA9CA1PTGS2
SCHEMBL6721496 0.83 PTGS2 (0.66) CA12CA2CA9CA1PTGS2
SCHEMBL6723830 0.82 KIF11 (0.54) CA12CA2CA9CA1PTGS2
SCHEMBL6726452 0.81 CA9 (0.56) CA12CA2CA9CA1PTGS2
SCHEMBL6724390 0.81 CA2 (0.47) CA12CA2CA9CA1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040158074-A1 Substituted biphenyl compounds for the treatment of inflammation G.D. SEARLE & CO. 2004-08-12 US disclosed
EP-0794942-B1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-05-31 EP 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-20040158074-A1 Substituted biphenyl compounds for the treatment of inflammation AHR, ARNT, GPBAR1 CA12 3828/4885CA2 2743/4885CA9 2885/4885

“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.