SCHEMBL6724901

SCHEMBL6724901

COc1cc(-c2c(F)c(F)c(F)c(F)c2-c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.71
CA1 P00915 3/20 0.71
CA9 Q16790 3/20 0.71
CA12 O43570 1/20 0.71
PTGS2 P35354 15/20 0.55
PTGS1 P23219 10/20 0.52
CA4 P22748 1/20 0.51
CA7 P43166 1/20 0.51
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
CA13 Q8N1Q1 1/20 0.46

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
SCHEMBL6729221 0.92 CA1 (0.57) CA2CA1CA9CA12PTGS2
SCHEMBL6725647 0.89 PTGS2 (0.55) CA2CA1CA9CA12PTGS2
SCHEMBL6728324 0.88 PTGS2 (0.54) CA2CA1CA9CA12PTGS2
SCHEMBL6732966 0.87 PTGS2 (0.70) CA2CA1CA9CA12PTGS2
SCHEMBL6721546 0.87 PTGS2 (0.57) CA2CA1CA9CA12PTGS2
SCHEMBL6726421 0.86 PTGS2 (0.65) CA2CA1CA9CA12PTGS2
SCHEMBL6725569 0.86 PTGS2 (0.53) CA2CA1CA9CA12PTGS2
SCHEMBL6725900 0.85 CA12 (0.55) CA2CA1CA9CA12PTGS2
SCHEMBL6724499 0.85 PTGS2 (0.52) CA2CA1CA9CA12PTGS2
SCHEMBL6724243 0.85 PTGS2 (0.72) CA2CA1CA9CA12PTGS2

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 6 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
US-6677488-B2 AS AN EXAMPLE, 4-(4,5-DIFLUORO-2-(3-CHLORO-4-FLUOROPHENYL) PHENYLBENZENESULFONAMIDE; ANTIARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; PROSTAGLANDIN INHIBITORS; SIDE EFFECT REDUCTION G.D. SEARLE & CO. 2004-01-13 US disclosed
US-20020169206-A1 Substituted biphenyl compounds for the treatment of inflammation G.D. SEARLE & CO. (US) 2002-11-14 US disclosed
EP-0794942-B1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-05-31 EP disclosed
EP-0794942-A1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-09-17 EP disclosed
WO-1996016934-A1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-06-06 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 (2 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-20020169206-A1 Substituted biphenyl compounds for the treatment of inflammation AHR, ARNT, GPBAR1 CA2 2743/4885CA1 4405/4885CA9 2885/4885
US-20040158074-A1 Substituted biphenyl compounds for the treatment of inflammation AHR, ARNT, GPBAR1 CA2 2743/4885CA1 4405/4885CA9 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.