SCHEMBL6520446

SCHEMBL6520446

CSc1ccc(C=C(C(C)=NO)c2ccc(Br)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.48
AKR1C2 P52895 3/20 0.48
AKR1C1 Q04828 3/20 0.48
TRPA1 O75762 1/20 0.40
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6520441 1.00 AKR1C3 (0.48) AKR1C3AKR1C2AKR1C1TRPA1MAPT
SCHEMBL8473609 0.85 AKR1C3 (0.57) AKR1C3AKR1C2AKR1C1MAPTMEN1
SCHEMBL6169433 0.85 AKR1C1 (0.66) AKR1C3AKR1C2AKR1C1TRPA1MAPT
SCHEMBL6169437 0.85 AKR1C1 (0.66) AKR1C3AKR1C2AKR1C1TRPA1MAPT
SCHEMBL8473605 0.85 AKR1C3 (0.57) AKR1C3AKR1C2AKR1C1MAPTMEN1
SCHEMBL6514407 0.82 AKR1C3 (0.57) AKR1C3AKR1C2AKR1C1MAPTMEN1
SCHEMBL6514404 0.82 AKR1C3 (0.57) AKR1C3AKR1C2AKR1C1MAPTMEN1
SCHEMBL6516511 0.82 AKR1C3 (0.44) AKR1C3AKR1C2AKR1C1TRPA1MAPT
SCHEMBL6516514 0.82 AKR1C3 (0.44) AKR1C3AKR1C2AKR1C1TRPA1MAPT
SCHEMBL7832711 0.79 AKR1C3 (0.75) AKR1C3AKR1C2AKR1C1ALDH1A1

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 AKR1C3 243/4885AKR1C2 498/4885AKR1C1 371/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 AKR1C3 267/4885AKR1C2 548/4885AKR1C1 417/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 AKR1C3 243/4885AKR1C2 498/4885AKR1C1 371/4885

“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.