SCHEMBL6514536

SCHEMBL6514536

NS(=O)(=O)c1ccc(C2=C(c3ccc(Br)cc3)C(=O)OC2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 10/20 0.55
PTGS2 P35354 9/20 0.55
ABCB11 O95342 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MT-CO2 P00403 1/20 0.42
HTR1A P08908 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
MC4R P32245 1/20 0.42
KMT2A Q03164 1/20 0.42
NR3C2 P08235 1/20 0.42

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
SCHEMBL6724188 0.93 PTGS1 (0.50) PTGS1PTGS2ABCB11ALDH1A1MT-CO2
SCHEMBL6725470 0.91 PTGS1 (0.67) PTGS1PTGS2ABCB11ALDH1A1MT-CO2
SCHEMBL6718604 0.90 PTGS1 (0.48) PTGS1PTGS2ABCB11ALDH1A1MT-CO2
SCHEMBL6730518 0.90 PTGS1 (0.50) PTGS1PTGS2NR3C2
SCHEMBL6718426 0.89 PTGS2 (0.54) PTGS1PTGS2ABCB11ALDH1A1MT-CO2
SCHEMBL6721938 0.89 PTGS2 (0.64) PTGS1PTGS2ABCB11ALDH1A1MT-CO2
SCHEMBL6718696 0.88 PTGS1 (0.63) PTGS1PTGS2
SCHEMBL6512949 0.87 PTGS2 (0.58) PTGS1PTGS2ABCB11ALDH1A1MT-CO2
SCHEMBL6722642 0.87 PTGS1 (0.55) PTGS1PTGS2NR3C2
SCHEMBL6718382 0.87 PTGS2 (0.50) PTGS1PTGS2

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 12 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-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2004-05-13 US 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
EP-1296971-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2003-04-02 EP disclosed
US-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2002-12-05 US disclosed
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents ANDO KAZUO (JP) 2002-04-18 US disclosed
WO-2001081332-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2001-11-01 WO 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 (5 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-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, FPR1, PTGES2 PTGS1 4/4885PTGS2 5/4885ABCB11 2898/4885
US-20040157824-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 PTGS1 2/4885PTGS2 29/4885ABCB11 321/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 PTGS1 3/4885PTGS2 30/4885ABCB11 307/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 PTGS1 2/4885PTGS2 29/4885ABCB11 321/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS1 4/4885PTGS2 5/4885ABCB11 2983/4885

“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.