SCHEMBL6511644

SCHEMBL6511644

Cc1noc(-c2ccc(Br)cc2)c1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.56
BRD2 P25440 1/20 0.56
TDO2 P48775 1/20 0.53
NR1H4 Q96RI1 1/20 0.47
PTPN1 P18031 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 1/20 0.42
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
NPC1 O15118 2/20 0.42
NFKB1 P19838 2/20 0.42
RAB9A P51151 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
ALOX5AP P20292 1/20 0.42
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
LPAR1 Q92633 1/20 0.39

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
SCHEMBL21105338 0.89 BRD4 (0.68) BRD4BRD2TDO2PTPN1ALDH1A1
SCHEMBL6950 0.85 BRD4 (0.39) BRD4BRD2TDO2PTGS2ALOX5AP
SCHEMBL6514108 0.83 ALDH1A1 (0.40) BRD4BRD2TDO2ALDH1A1MAPT
SCHEMBL19742000 0.81 PTGS2 (0.51) NR1H4PTPN1ALDH1A1MAPK1PTGS1
SCHEMBL8475581 0.81 BRD4 (0.53) BRD4BRD2TDO2PTPN1ALDH1A1
SCHEMBL6170940 0.81 BRD4 (0.53) BRD4BRD2TDO2PTPN1ALDH1A1
SCHEMBL6513072 0.80 PTGS2 (0.56) PTGS2EDNRBEDNRA
SCHEMBL6517910 0.79 CA2 (0.54) PTGS1PTGS2EDNRBEDNRA
SCHEMBL6168185 0.78 PTGS2 (0.57) BRD4BRD2TDO2PTGS1PTGS2
SCHEMBL6168058 0.78 PTGS2 (0.57) BRD4BRD2TDO2PTGS1PTGS2

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 BRD4 410/4885BRD2 1438/4885TDO2 2633/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 BRD4 385/4885BRD2 1518/4885TDO2 2630/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 BRD4 410/4885BRD2 1438/4885TDO2 2633/4885

“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.