SCHEMBL6725539

SCHEMBL6725539

CN(C)c1cc(-c2ccccc2-c2ccc(S(N)(=O)=O)cc2)cc(N(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.57
PTGS2 P35354 9/20 0.57
PTGS1 P23219 8/20 0.57
CA12 O43570 8/20 0.57
CA9 Q16790 8/20 0.57
CA1 P00915 7/20 0.57
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
DRD1 P21728 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
SCHEMBL6726371 0.89 CA2 (0.62) CA2PTGS2PTGS1CA12CA9
SCHEMBL6732794 0.88 CA2 (0.54) CA2PTGS2PTGS1CA12CA9
SCHEMBL6723927 0.85 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL6721528 0.84 PTGS2 (0.60) CA2PTGS2PTGS1CA12CA9
SCHEMBL6733384 0.83 CA12 (0.64) CA2PTGS2PTGS1CA12CA9
SCHEMBL6725652 0.82 PTGS2 (0.54) CA2PTGS2PTGS1CA12CA9
SCHEMBL6721587 0.82 CA2 (0.58) CA2PTGS2PTGS1CA12CA9
SCHEMBL6724754 0.81 PTGS2 (0.60) CA2PTGS2PTGS1CA12CA9
SCHEMBL6726391 0.81 PTGS2 (0.61) CA2PTGS2PTGS1CA12CA9
SCHEMBL6725911 0.81 PTGS2 (0.62) CA2PTGS2PTGS1CA12CA9

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

“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.