SCHEMBL6724744

SCHEMBL6724744

CN(C)c1cc(-c2cc3c(cc2-c2ccc(S(N)(=O)=O)cc2)OCO3)cc(N(C)C)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.54
PTGS1 P23219 14/20 0.54
CA12 O43570 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
EGFR P00533 1/20 0.42
KDR P35968 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL6721529 0.89 PTGS2 (0.57) PTGS2PTGS1CA12CA2CA9
SCHEMBL6725606 0.89 PTGS2 (0.55) PTGS2PTGS1CA12CA2CA9
SCHEMBL6733138 0.89 PTGS2 (0.55) PTGS2PTGS1CA12CA2CA9
SCHEMBL6728124 0.88 PTGS2 (0.60) PTGS2PTGS1CA12CA2CA9
SCHEMBL6723943 0.88 PTGS2 (0.60) PTGS2PTGS1CA12CA2CA9
SCHEMBL6724460 0.87 PTGS2 (0.70) PTGS2PTGS1CA12CA2CA9
SCHEMBL6725517 0.86 PTGS2 (0.52) PTGS2PTGS1CA12CA2CA9
SCHEMBL6725586 0.85 PTGS2 (0.57) PTGS2PTGS1CA12CA2CA9
SCHEMBL6724224 0.85 PTGS2 (0.54) PTGS2PTGS1CA12CA2CA9
SCHEMBL6726411 0.85 PTGS2 (0.54) PTGS2PTGS1CA12CA2CA9

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 4 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

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