SCHEMBL6732801

SCHEMBL6732801

Cc1cc(-c2ccccc2-c2ccc(S(N)(=O)=O)cc2)cc(C)c1F

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 15/20 0.66
PTGS2 P35354 15/20 0.66
CA12 O43570 3/20 0.66
CA1 P00915 3/20 0.66
CA2 P00918 3/20 0.66
CA9 Q16790 3/20 0.66
SOS1 Q07889 1/20 0.55
DRD1 P21728 1/20 0.52

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
SCHEMBL6724244 0.88 PTGS2 (0.78) PTGS1PTGS2
SCHEMBL6724171 0.87 CA2 (0.70) PTGS1PTGS2CA12CA1CA2
SCHEMBL6724077 0.86 PTGS2 (0.81) PTGS1PTGS2CA12CA1CA2
SCHEMBL6732628 0.86 PTGS2 (0.68) PTGS2DRD1
SCHEMBL6721516 0.84 PTGS2 (0.66) PTGS1PTGS2CA12CA1CA2
SCHEMBL6728847 0.84 PTGS2 (0.66) PTGS1PTGS2CA12CA1CA2
SCHEMBL6721527 0.84 PTGS2 (0.72) PTGS1PTGS2CA12CA1CA2
SCHEMBL6721492 0.84 PTGS2 (0.70) PTGS1PTGS2CA12CA1CA2
SCHEMBL6729092 0.84 PTGS2 (0.73) PTGS1PTGS2CA12CA1CA2
SCHEMBL6721705 0.84 CA1 (0.60) PTGS1PTGS2CA12CA1CA2

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 PTGS1 292/4885PTGS2 379/4885CA12 3828/4885
US-20040158074-A1 Substituted biphenyl compounds for the treatment of inflammation AHR, ARNT, GPBAR1 PTGS1 292/4885PTGS2 379/4885CA12 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.