SCHEMBL6520729

SCHEMBL6520729

O=S(=O)(Nn1nc(C(F)(F)F)c(Cl)c1-c1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.42
PTGS1 P23219 4/20 0.42
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.37
KDM4E B2RXH2 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IDO1 P14902 1/20 0.36
MAPT P10636 3/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 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
SCHEMBL8204244 0.91 PTGS1 (0.51) PTGS2PTGS1SMN1; SMN2ALDH1A1HTT
Benzenesulfonamide SCHEMBL7051156 0.86 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL6513051 0.82 KAT6A (0.40) PTGS2PTGS1
SCHEMBL8637642 0.81 PTGS1 (0.46) PTGS2PTGS1SMN1; SMN2ALDH1A1HTT
SCHEMBL8640282 0.80 PTGS1 (0.53) PTGS2PTGS1SMN1; SMN2ALDH1A1HTT
SCHEMBL8163016 0.79 PTGS2 (0.41) PTGS2PTGS1LMNATSHR
SCHEMBL8689478 0.78 PTGS2 (0.53) PTGS2PTGS1ALDH1A1MAPT
SCHEMBL8692558 0.77 PTGS2 (0.41) PTGS2PTGS1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8689002 0.77 PTGS1 (0.55) PTGS2PTGS1SMN1; SMN2ALDH1A1HTT
SCHEMBL8688468 0.77 PTGS2 (0.39) PTGS2PTGS1SMN1; SMN2ALDH1A1MAPT

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 2/4885MEN1 4343/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 PTGS2 30/4885PTGS1 3/4885MEN1 4451/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 PTGS2 29/4885PTGS1 2/4885MEN1 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.