SCHEMBL6514746

SCHEMBL6514746

Cc1cc(-n2c(C)ccc2-c2ccc(S(C)(=O)=O)c(F)c2)ccc1-c1cscn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.47
PIK3CD O00329 2/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35
PTGS1 P23219 2/20 0.34
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
SCN9A Q15858 1/20 0.31
PTGER1 P34995 1/20 0.31
CLK1 P49759 1/20 0.31
CLK2 P49760 1/20 0.31
PI4KB Q9UBF8 1/20 0.31

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
SCHEMBL6517236 0.89 PTGS2 (0.49) PTGS2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6517641 0.78 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6513084 0.78 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6512565 0.77 PTGS2 (0.55) PTGS2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6513063 0.75 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL6514515 0.74 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL6511244 0.74 PTGS2 (0.50) PTGS2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6517885 0.74 PTGS2 (0.42) PTGS2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6513153 0.73 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL6511509 0.73 PTGS2 (0.40) PTGS2PTGS1SCN9A

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 15 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-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents ANDO KAZUO (JP) 2002-04-18 US claimed
EP-1086097-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER INC. (US) 2001-03-28 EP claimed
WO-1999064415-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 1999-12-16 WO 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

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 29/4885PIK3CD 4259/4885PIK3CA 4057/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 PTGS2 30/4885PIK3CD 4239/4885PIK3CA 4003/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 PTGS2 29/4885PIK3CD 4259/4885PIK3CA 4057/4885

“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.