SCHEMBL6725866

SCHEMBL6725866

Cc1cccc(-c2c(F)c(F)c(F)c(F)c2-c2ccc(S(N)(=O)=O)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.57
CA1 P00915 5/20 0.57
CA12 O43570 4/20 0.51
CA9 Q16790 4/20 0.51
PTGS2 P35354 12/20 0.51
PTGS1 P23219 10/20 0.51
CA5A P35218 2/20 0.48
CA5B Q9Y2D0 2/20 0.48
CA3 P07451 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 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
SCHEMBL6725880 0.86 PTGS2 (0.58) CA2CA1CA12CA9PTGS2
SCHEMBL6808976 0.85 CA12 (0.54) CA2CA1CA12CA9PTGS2
SCHEMBL6729176 0.84 PTGS2 (0.68) CA2CA1CA12CA9PTGS2
SCHEMBL6725794 0.82 CA2 (0.68) CA2CA1CA12CA9PTGS2
SCHEMBL6171121 0.82 CA2 (0.75) CA2CA1CA12CA9PTGS2
SCHEMBL6723983 0.82 CA2 (0.57) CA2CA1CA12CA9PTGS2
SCHEMBL6724157 0.82 PTGS2 (0.68) CA2CA1CA12CA9PTGS2
SCHEMBL6726452 0.82 CA9 (0.56) CA2CA1CA12CA9PTGS2
SCHEMBL6724390 0.82 CA2 (0.47) CA2CA1CA12CA9PTGS2
SCHEMBL6728192 0.81 PTGS2 (0.72) CA2CA1PTGS2PTGS1CA5A

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 4 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

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 4405/4885CA12 3828/4885
US-20040158074-A1 Substituted biphenyl compounds for the treatment of inflammation AHR, ARNT, GPBAR1 CA2 2743/4885CA1 4405/4885CA12 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.