SCHEMBL6514849

SCHEMBL6514849

NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-n3ccnc3)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.73
PTGS1 P23219 10/20 0.70
CYP2C9 P11712 2/20 0.70
PDPK1 O15530 7/20 0.69
PTGES O14684 1/20 0.69
HDAC3 O15379 1/20 0.69
CA12 O43570 1/20 0.69
PDE5A O76074 1/20 0.69
ABCB11 O95342 1/20 0.69
MT-CO2 P00403 1/20 0.69
CA1 P00915 1/20 0.69
CA2 P00918 1/20 0.69
LMNA P02545 1/20 0.69
CA3 P07451 1/20 0.69
CYP3A4 P08684 1/20 0.69
ALOX5 P09917 1/20 0.69
ADORA3 P0DMS8 1/20 0.69
CYP2D6 P10635 1/20 0.69
ADRB3 P13945 1/20 0.69
ALOX15 P16050 1/20 0.69

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
SCHEMBL6517919 0.89 PTGS2 (0.70) PTGS2PTGS1CYP2C9PDPK1PTGES
SCHEMBL6342351 0.87 PTGS2 (0.90) PTGS2PTGS1CYP2C9PDPK1PTGES
SCHEMBL6517837 0.85 PTGS2 (0.95) PTGS2PTGS1CYP2C9PDPK1PTGES
SCHEMBL6341797 0.85 PTGS2 (1.00) PTGS2PTGS1CYP2C9PDPK1PTGES
SCHEMBL3246379 0.83 PTGS2 (1.00) PTGS2PTGS1CYP2C9PDPK1PTGES
SCHEMBL152885 0.83 PTGS2 (1.00) PTGS2PTGS1CYP2C9PDPK1PTGES
Mavacoxib SCHEMBL212699 0.83 PTGS2 (1.00) PTGS2PTGS1CYP2C9PDPK1PTGES
SCHEMBL3096416 0.83 PTGS2 (1.00) PTGS2PTGS1CYP2C9PDPK1PTGES
SCHEMBL29056503 0.82 PTGS2 (0.76) PTGS2PTGS1CYP2C9PDPK1PTGES
SCHEMBL3900112 0.82 PTGS2 (1.00) PTGS2PTGS1CYP2C9PDPK1PTGES

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-6949536-B2 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents PFIZER, INC. (US) 2005-09-27 US claimed
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-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 PTGS2 29/4885PTGS1 2/4885CYP2C9 1033/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 PTGS2 30/4885PTGS1 3/4885CYP2C9 1021/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 PTGS2 29/4885PTGS1 2/4885CYP2C9 1033/4885

“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.