SCHEMBL6513666

SCHEMBL6513666

Cc1onc(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccc(Br)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.75
PTGS1 P23219 4/20 0.59
MT-CO2 P00403 3/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
LMNA P02545 1/20 0.59
CA3 P07451 1/20 0.59
ADRB2 P07550 1/20 0.59
ADRB1 P08588 1/20 0.59
CYP3A4 P08684 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
CHRM1 P11229 1/20 0.59
ADRA2B P18089 1/20 0.59
CA4 P22748 1/20 0.59
CA6 P23280 1/20 0.59
SLC6A2 P23975 1/20 0.59
PDE4A P27815 1/20 0.59
ADORA1 P30542 1/20 0.59
CA5A P35218 1/20 0.59

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
SCHEMBL6171081 0.88 PTGS2 (0.79) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL5428718 0.87 PTGS2 (0.78) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL14267653 0.87 PTGS2 (0.77) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL5703656 0.87 PTGS2 (0.77) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL6167941 0.86 PTGS2 (1.00) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL4587749 0.86 PTGS2 (1.00) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL6172125 0.86 PTGS2 (0.75) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL6169982 0.83 PTGS2 (0.76) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL14267639 0.83 PTGS2 (0.71) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL5421530 0.83 PTGS2 (0.54) PTGS2PTGS1MT-CO2CA12CA1

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 10 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
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 PTGS2 29/4885PTGS1 2/4885MT-CO2 2764/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 PTGS2 30/4885PTGS1 3/4885MT-CO2 2827/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 PTGS2 29/4885PTGS1 2/4885MT-CO2 2764/4885

“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.