SCHEMBL6514404

SCHEMBL6514404

CSc1ccc(/C=C(\C(C)=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.57
AKR1C2 P52895 3/20 0.57
AKR1C1 Q04828 3/20 0.57
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
HTT P42858 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6514407 1.00 AKR1C3 (0.57) AKR1C3AKR1C2AKR1C1MAPTMEN1
SCHEMBL7832711 0.88 AKR1C3 (0.75) AKR1C3AKR1C2AKR1C1ALDH1A1HTT
SCHEMBL7847362 0.88 AKR1C3 (0.75) AKR1C3AKR1C2AKR1C1ALDH1A1HTT
SCHEMBL7832708 0.88 AKR1C3 (0.75) AKR1C3AKR1C2AKR1C1ALDH1A1HTT
SCHEMBL6169890 0.84 AKR1C1 (0.79) AKR1C3AKR1C2AKR1C1MAPTMEN1
SCHEMBL6168025 0.84 AKR1C3 (0.69) AKR1C3AKR1C2AKR1C1MAPTMEN1
SCHEMBL6168027 0.84 AKR1C3 (0.69) AKR1C3AKR1C2AKR1C1MAPTMEN1
SCHEMBL6169895 0.84 AKR1C1 (0.79) AKR1C3AKR1C2AKR1C1MAPTMEN1
SCHEMBL6520441 0.82 AKR1C3 (0.48) AKR1C3AKR1C2AKR1C1MAPTMEN1
SCHEMBL6520446 0.82 AKR1C3 (0.48) AKR1C3AKR1C2AKR1C1MAPTMEN1

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.