SCHEMBL6725441

SCHEMBL6725441

CN(C)c1c(C(F)(F)F)cc(-c2ccccc2-c2ccc(S(N)(=O)=O)cc2)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.52
PTGS1 P23219 10/20 0.52
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
CA12 O43570 4/20 0.49
CA9 Q16790 4/20 0.49
KIF11 P52732 2/20 0.48
DRD1 P21728 1/20 0.43
CA5A P35218 1/20 0.41
CA5B Q9Y2D0 1/20 0.41

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
SCHEMBL6725907 0.88 PTGS2 (0.58) PTGS2PTGS1KIF11
SCHEMBL6724248 0.86 PTGS2 (0.54) PTGS2PTGS1CA1CA2CA12
SCHEMBL6721488 0.85 PTGS1 (0.56) PTGS2PTGS1CA1CA2CA12
SCHEMBL6726479 0.83 PTGS1 (0.58) PTGS2PTGS1CA1CA2CA12
SCHEMBL6724113 0.83 PTGS1 (0.62) PTGS2PTGS1CA1CA2CA12
SCHEMBL6726248 0.83 PTGS2 (0.54) PTGS2PTGS1CA2CA12CA9
SCHEMBL6731215 0.83 PTGS2 (0.51) PTGS2PTGS1CA1CA2CA12
SCHEMBL6726391 0.82 PTGS2 (0.61) PTGS2PTGS1CA1CA2CA12
SCHEMBL6732830 0.82 PTGS2 (0.60) PTGS2PTGS1CA1CA2CA12
SCHEMBL6732902 0.82 PTGS1 (0.59) PTGS2PTGS1CA1CA2CA12

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 292/4885CA1 4405/4885
US-20040158074-A1 Substituted biphenyl compounds for the treatment of inflammation AHR, ARNT, GPBAR1 PTGS2 379/4885PTGS1 292/4885CA1 4405/4885

“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.