SCHEMBL6732013

SCHEMBL6732013

Cc1ccc(-c2cc3c(cc2-c2ccc(S(N)(=O)=O)cc2)OCO3)cc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.59
PTGS1 P23219 13/20 0.59
CA12 O43570 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
KIF11 P52732 1/20 0.44
CA1 P00915 1/20 0.42

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
SCHEMBL6728882 0.91 PTGS2 (0.59) PTGS2PTGS1CA12CA2CA9
SCHEMBL6733373 0.89 PTGS2 (0.57) PTGS2PTGS1CA12CA2CA9
SCHEMBL6732150 0.89 PTGS2 (0.63) PTGS2PTGS1CA12CA2CA9
SCHEMBL6724228 0.87 PTGS2 (0.67) PTGS2PTGS1CA12CA2CA9
SCHEMBL6732218 0.86 PTGS2 (0.59) PTGS2PTGS1CA12CA2CA9
SCHEMBL6725619 0.85 PTGS2 (0.62) PTGS2PTGS1CA12CA2CA9
SCHEMBL6732820 0.85 PTGS2 (0.58) PTGS2PTGS1CA12CA2CA9
SCHEMBL6725591 0.85 PTGS2 (0.56) PTGS2PTGS1CA12CA2CA9
SCHEMBL6728451 0.85 PTGS2 (0.56) PTGS2PTGS1CA12CA2CA9
SCHEMBL6729187 0.85 PTGS2 (0.66) PTGS2PTGS1CA12CA2CA9

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 PTGS2 379/4885PTGS1 292/4885CA12 3828/4885
US-20040158074-A1 Substituted biphenyl compounds for the treatment of inflammation AHR, ARNT, GPBAR1 PTGS2 379/4885PTGS1 292/4885CA12 3828/4885

“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.