SCHEMBL6512795

SCHEMBL6512795

CS(=O)(=O)c1ccc(N=C(N)c2ccc(-c3cccs3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.45
SCD O00767 1/20 0.44
GRIN2B Q13224 1/20 0.43
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
MMP2 P08253 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HDAC1 Q13547 1/20 0.39
TNFRSF1A P19438 1/20 0.38
CYP2D6 P10635 1/20 0.38
HIF1A Q16665 1/20 0.38
NOS1 P29475 1/20 0.38

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
SCHEMBL4201541 0.81 SCD (0.58) PTGS2SCDCA2CA9CA12
SCHEMBL5594306 0.79 NOS1 (0.62) NOS1
SCHEMBL5593964 0.78 MEN1 (0.61) PTGS2GRIN2BCA2CA9CA1
SCHEMBL5595201 0.77 CYP2D6 (0.60) PTGS2GRIN2BCYP2D6HIF1ANOS1
SCHEMBL4854998 0.77 CYP2D6 (0.60) PTGS2GRIN2BCYP2D6HIF1ANOS1
SCHEMBL5594052 0.76 PTGS2 (0.51) PTGS2GRIN2BCYP2D6HIF1ANOS1
SCHEMBL5593941 0.76 PTGS2 (0.51) PTGS2GRIN2BCYP2D6HIF1ANOS1
SCHEMBL5594336 0.76 PTGS2 (0.51) PTGS2GRIN2BNOS1
SCHEMBL5594422 0.76 MAPT (0.46) PTGS2GRIN2BCYP2D6HIF1ANOS1
SCHEMBL5698495 0.76 PTGS2 (0.51) PTGS2GRIN2BNOS1

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 29/4885SCD 1608/4885GRIN2B 1153/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 PTGS2 30/4885SCD 1440/4885GRIN2B 992/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 PTGS2 29/4885SCD 1608/4885GRIN2B 1153/4885

“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.