SCHEMBL6723830

SCHEMBL6723830

NS(=O)(=O)c1ccc(-c2c(F)c(F)c(F)c(F)c2-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.54
CA2 P00918 8/20 0.49
CA9 Q16790 7/20 0.49
CA12 O43570 6/20 0.49
PTGS2 P35354 4/20 0.46
PTGS1 P23219 3/20 0.46
PTGES2 Q9H7Z7 1/20 0.45
CA1 P00915 7/20 0.44
CA4 P22748 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
ELANE P08246 1/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 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
SCHEMBL6732217 0.87 KIF11 (0.58) KIF11CA2CA9CA12PTGS2
SCHEMBL6726211 0.85 KIF11 (0.74) KIF11CA2CA9CA12PTGS2
SCHEMBL6808976 0.82 CA12 (0.54) CA2CA9CA12PTGS2PTGS1
SCHEMBL6721460 0.81 KIF11 (0.57) KIF11CA2CA9CA12PTGS2
SCHEMBL6725503 0.81 PTGS2 (0.61) KIF11CA2CA9CA12PTGS2
SCHEMBL6725794 0.80 CA2 (0.68) CA2CA9CA12PTGS2PTGS1
SCHEMBL8657454 0.80 PTGES2 (0.51) PTGES2SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL6724538 0.80 PTGS1 (0.58) KIF11CA2CA9CA12PTGS2
SCHEMBL6728142 0.80 KIF11 (0.60) KIF11CA2CA9CA12PTGS2
SCHEMBL6725866 0.80 CA2 (0.57) CA2CA9CA12PTGS2PTGS1

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 KIF11 4637/4885CA2 2743/4885CA9 2885/4885
US-20040158074-A1 Substituted biphenyl compounds for the treatment of inflammation AHR, ARNT, GPBAR1 KIF11 4637/4885CA2 2743/4885CA9 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.