SCHEMBL6725837

SCHEMBL6725837

CN(C)c1cc(-c2c(F)c(F)c(F)c(F)c2-c2ccc(S(N)(=O)=O)cc2)cc(N(C)C)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.46
PTGS1 P23219 14/20 0.46
KIF11 P52732 2/20 0.44
PDPK1 O15530 2/20 0.39
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
PTGES O14684 1/20 0.39
HDAC3 O15379 1/20 0.39
PDE5A O76074 1/20 0.39
ABCB11 O95342 1/20 0.39
MT-CO2 P00403 1/20 0.39
CA1 P00915 1/20 0.39
LMNA P02545 1/20 0.39
CA3 P07451 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX5 P09917 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL6732225 0.88 PTGS2 (0.51) PTGS2PTGS1CA12CA2CA9
SCHEMBL6728958 0.86 KIF11 (0.52) PTGS2PTGS1KIF11
SCHEMBL6721491 0.85 PTGS2 (0.49) PTGS2PTGS1CA12CA2CA9
SCHEMBL6728771 0.85 PTGS2 (0.49) PTGS2PTGS1CA12CA2CA9
SCHEMBL6725872 0.84 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL6725862 0.84 PTGS2 (0.56) PTGS2PTGS1CA12CA2CA9
SCHEMBL6725707 0.84 PTGS2 (0.51) PTGS2PTGS1KIF11
SCHEMBL6725528 0.83 PTGS1 (0.50) PTGS2PTGS1KIF11PDPK1CA12
SCHEMBL6725782 0.83 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL6721679 0.82 KIF11 (0.56) PTGS2PTGS1KIF11CA12CA2

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 292/4885KIF11 4637/4885
US-20040158074-A1 Substituted biphenyl compounds for the treatment of inflammation AHR, ARNT, GPBAR1 PTGS2 379/4885PTGS1 292/4885KIF11 4637/4885

“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.