SCHEMBL6534043

SCHEMBL6534043

N#CCc1cc(-c2ccc(Br)cc2)n(NS(=O)(=O)c2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.41
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
IDO1 P14902 1/20 0.36
CA12 O43570 1/20 0.36
MALT1 Q9UDY8 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
KDM4E B2RXH2 2/20 0.35
USP2 O75604 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
MMP2 P08253 5/20 0.34
MMP3 P08254 3/20 0.34
MMP13 P45452 3/20 0.34

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
SCHEMBL6531666 0.85 MEN1 (0.39) PTGS2KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL6531309 0.85 CA1 (0.51) PTGS2KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL6516252 0.84 PTGS2 (0.38) PTGS2SMN1; SMN2CA1CA2CA9
SCHEMBL8637413 0.83 CA12 (0.39) PTGS2KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL8422134 0.80 MAPT (0.51) PTGS2KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL6514097 0.77 PTGS2 (0.50) PTGS2KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL8689453 0.76 EPHX2 (0.40) PTGS2CA1CA2CA9MALT1
SCHEMBL8688829 0.76 PTGS2 (0.52) PTGS2MAPTSMN1; SMN2CA1CA2
SCHEMBL8688890 0.76 CA1 (0.42) PTGS2MAPTCA1CA2CA9
SCHEMBL8689039 0.76 CA1 (0.53) PTGS2CA1CA2CA9MALT1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949536-B2 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents PFIZER, INC. (US) 2005-09-27 US disclosed
US-20040157824-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents PFIZER INC. 2004-08-12 US disclosed
EP-1086097-B1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER (US) 2004-05-19 EP disclosed
US-6727238-B2 CYCLOOXYGENASE INHIBITORS PFIZER INC. 2004-04-27 US disclosed
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents ANDO KAZUO (JP) 2003-12-04 US disclosed
US-6608095-B2 Sulfonylbenzene and sulfonamidobenzene compounds which inhibit COX-2; treatment of a medical condition in which prostaglandins are implicated as pathogens PFIZER INC. 2003-08-19 US disclosed
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents ANDO KAZUO (JP) 2002-04-18 US disclosed
US-6294558-B1 ANTIINFLAMMATORY AGENTS AND PROSTAGLANTINS PFIZER INC. 2001-09-25 US 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 (3 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-20040157824-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 PTGS2 29/4885KMT2A 3170/4885MEN1 4343/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 PTGS2 30/4885KMT2A 2993/4885MEN1 4451/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 PTGS2 29/4885KMT2A 3170/4885MEN1 4343/4885

“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.