SCHEMBL6732051

SCHEMBL6732051

CN(C)c1ccc(-c2c(F)c(F)c(F)c(F)c2-c2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.57
CA1 P00915 7/20 0.57
CA9 Q16790 7/20 0.57
CA12 O43570 6/20 0.57
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
POLB P06746 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.57
CA7 P43166 1/20 0.50
PTGS2 P35354 11/20 0.49
PTGS1 P23219 8/20 0.49
CA4 P22748 1/20 0.47
ALDH1A1 P00352 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
SCHEMBL6725617 0.89 PTGS2 (0.48) CA2CA1CA9CA12MEN1
SCHEMBL6724390 0.86 CA2 (0.47) CA2CA1CA9CA12MEN1
SCHEMBL8492321 0.84 CA2 (0.70) CA2CA1CA9CA12MEN1
SCHEMBL6732225 0.83 PTGS2 (0.51) CA2CA1CA9CA12CA7
SCHEMBL330045 0.82 CA2 (0.78) CA2CA1CA9CA12MEN1
SCHEMBL6725411 0.82 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6726249 0.82 PTGS2 (0.51) CA2CA1CA9CA12CA7
SCHEMBL6725862 0.82 PTGS2 (0.56) CA2CA1CA9CA12PTGS2
SCHEMBL6729176 0.81 PTGS2 (0.68) CA2CA1CA9CA12CA7
SCHEMBL6721496 0.81 PTGS2 (0.66) CA2CA1CA9CA12CA7

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.