SCHEMBL6511232

SCHEMBL6511232

Cc1cc(-c2ccc(-c3ccco3)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
PTGS2 P35354 12/20 0.47
PTGS1 P23219 7/20 0.47
CHRNA7 P36544 5/20 0.45
CYP2C9 P11712 2/20 0.44
PDPK1 O15530 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
PTGES O14684 1/20 0.42
HDAC3 O15379 1/20 0.42
CA12 O43570 1/20 0.42
PDE5A O76074 1/20 0.42
ABCB11 O95342 1/20 0.42
MT-CO2 P00403 1/20 0.42
LMNA P02545 1/20 0.42
CA3 P07451 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX5 P09917 1/20 0.42
ADORA3 P0DMS8 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
SCHEMBL6517008 0.89 PTGS2 (0.46) PTGS2PTGS1CYP2C9ALOX5
SCHEMBL6512690 0.89 PTGS2 (0.46) PTGS2PTGS1CYP2C9ALOX5
SCHEMBL7453690 0.88 PTGS2 (0.51) PTGS2PTGS1CA1CA2CA9
SCHEMBL7453699 0.88 PTGS2 (0.51) PTGS2PTGS1CA1CA2CA9
SCHEMBL5312529 0.83 PTGS2 (0.58) PTGS2PTGS1CHRNA7CYP2C9PDPK1
SCHEMBL347020 0.83 PTGS2 (0.58) PTGS2PTGS1CHRNA7CYP2C9PDPK1
SCHEMBL2462524 0.82 PTGS2 (0.60) PTGS2PTGS1CHRNA7CYP2C9CA1
SCHEMBL7139460 0.80 TAAR1 (0.57) POLBPTGS2CA1CA2CA9
SCHEMBL5309196 0.79 CHRNA7 (0.66) PTGS2PTGS1CHRNA7CA1CA2
SCHEMBL347440 0.79 CHRNA7 (0.66) PTGS2PTGS1CHRNA7PDPK1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157824-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents PFIZER INC. 2004-08-12 US claimed
EP-1086097-B1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER (US) 2004-05-19 EP claimed
US-6727238-B2 CYCLOOXYGENASE INHIBITORS PFIZER INC. 2004-04-27 US claimed
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents ANDO KAZUO (JP) 2003-12-04 US claimed
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
EP-1086097-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER INC. (US) 2001-03-28 EP disclosed
WO-1999064415-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 1999-12-16 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 (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 POLB 4325/4885PTGS2 29/4885PTGS1 2/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 POLB 4345/4885PTGS2 30/4885PTGS1 3/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 POLB 4325/4885PTGS2 29/4885PTGS1 2/4885

“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.