SCHEMBL6725679

SCHEMBL6725679

COc1cccc(-c2cc3c(cc2-c2ccc(S(N)(=O)=O)cc2)OCO3)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.57
PTGS1 P23219 9/20 0.57
CA2 P00918 5/20 0.55
CA9 Q16790 5/20 0.55
CA12 O43570 2/20 0.52
CA1 P00915 3/20 0.51
CA4 P22748 1/20 0.51
CA5A P35218 1/20 0.51
CA5B Q9Y2D0 1/20 0.51
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CDK1 P06493 1/20 0.46
CDK2 P24941 1/20 0.46

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
SCHEMBL6732299 0.89 PTGS2 (0.62) PTGS2PTGS1NPC1MAPTNFKB1
SCHEMBL6721453 0.89 PTGS2 (0.57) PTGS2PTGS1CA2CA9CA12
SCHEMBL6732213 0.89 PTGS2 (0.60) PTGS2PTGS1CA2CA9CA12
SCHEMBL6721694 0.84 PTGS2 (0.61) PTGS2PTGS1CA2CA9CA12
SCHEMBL8663505 0.83 PTGES2 (0.47) PTGS2PTGS1CA2CA9NPC1
SCHEMBL6721476 0.83 PTGS2 (0.63) PTGS2PTGS1CA2CA9CA12
SCHEMBL6728749 0.83 PTGS2 (0.78) PTGS2PTGS1CA2CA9CA12
SCHEMBL6724266 0.82 PTGS2 (0.68) PTGS2PTGS1CA2CA9CA12
SCHEMBL6725736 0.82 PTGS2 (0.67) PTGS2PTGS1CA2CA9CA12
SCHEMBL6725943 0.81 PTGS2 (0.61) PTGS2PTGS1CA2CA9CA12

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 292/4885CA2 2743/4885
US-20040158074-A1 Substituted biphenyl compounds for the treatment of inflammation AHR, ARNT, GPBAR1 PTGS2 379/4885PTGS1 292/4885CA2 2743/4885

“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.