SCHEMBL6514080

SCHEMBL6514080

CS(=O)(=O)c1ccc(-n2ncc([N+](=O)[O-])c2-c2ccc(Br)cc2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.47
PTGS1 P23219 5/20 0.47
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
PKM P14618 2/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
THRA P10827 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
SCHEMBL6514803 0.84 PTGS2 (0.44) PTGS2PTGS1ALDH1A1LMNASMN1; SMN2
SCHEMBL6513085 0.81 PTGS2 (0.49) PTGS2PTGS1ALDH1A1LMNASMN1; SMN2
SCHEMBL6516161 0.75 KDM5A (0.41) PTGS2PTGS1
SCHEMBL6514073 0.72 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL6528950 0.70 PTGS2 (0.39) PTGS2PTGS1ALDH1A1LMNASMN1; SMN2
SCHEMBL1115045 0.70 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL6721213 0.70 PTGS2 (0.54) PTGS2PTGS1ALDH1A1
SCHEMBL6723842 0.68 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL8764356 0.68 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL2646713 0.66 VCAM1 (0.55) THRBTHRA

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 2/4885ALDH1A1 593/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 PTGS2 30/4885PTGS1 3/4885ALDH1A1 599/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 PTGS2 29/4885PTGS1 2/4885ALDH1A1 593/4885

“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.