SCHEMBL3969221

SCHEMBL3969221

Cc1ccc(S(=O)(=O)n2c(C3(O)C=CC(=O)C=C3)cc3cc(F)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.44
LMNA P02545 1/20 0.44
MMP2 P08253 1/20 0.39
HTR6 P50406 1/20 0.39
PPARG P37231 2/20 0.38
PPARD Q03181 1/20 0.38
NOD2 Q9HC29 2/20 0.38
NOD1 Q9Y239 2/20 0.38
ALOX5 P09917 1/20 0.37
PTGDR Q13258 3/20 0.36
ALDH3A1 P30838 2/20 0.36
PPARA Q07869 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ACLY P53396 1/20 0.34
ELANE P08246 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
SCHEMBL3969132 0.89 ACLY (0.42) PTGDR2LMNAHTR6PPARGPPARD
SCHEMBL13767459 0.86 NOD1 (0.50) MMP2PPARGNOD2NOD1ALOX5
SCHEMBL3959959 0.84 NOD1 (0.48) PTGDR2LMNAHTR6NOD2NOD1
SCHEMBL14336862 0.84 PPARG (0.51) PTGDR2MMP2PPARGPPARDNOD2
SCHEMBL3714174 0.81 PTGDR2 (0.41) PTGDR2LMNAHTR6NOD2NOD1
SCHEMBL14953586 0.78 LMNA (0.55) PTGDR2LMNAHTR6PPARGPPARD
SCHEMBL31742261 0.76 CA12 (0.44) LMNAHTR6PPARGPPARDNOD2
SCHEMBL14336738 0.76 CA12 (0.39) LMNAMMP2NOD2NOD1ALOX5
SCHEMBL14336706 0.75 HTR6 (0.45) LMNAHTR6NOD2NOD1ALOX5
SCHEMBL3967910 0.75 HTR6 (0.50) HTR6PPARGPPARDNOD1PPARA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572197-B1 4- 1- (SULFONYL) -1H-INDOL-2-YL)-4- (HYDROXY) -CYCLOHEXA-2,5-DIENONE COMPOUNDS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2009-07-29 EP disclosed
EP-1572197-B1 4- 1- (SULFONYL) -1H-INDOL-2-YL)-4- (HYDROXY) -CYCLOHEXA-2,5-DIENONE COMPOUNDS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2009-07-29 EP disclosed
US-7307099-B2 4-(1-(sulfonyl)-1h-indol-2-yl)-4-(hydroxy)-cyclohexa-2,5-dienone compounds and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-12-11 US disclosed
US-7307099-B2 4-(1-(sulfonyl)-1h-indol-2-yl)-4-(hydroxy)-cyclohexa-2,5-dienone compounds and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-12-11 US disclosed
US-7307099-B2 4-(1-(sulfonyl)-1h-indol-2-yl)-4-(hydroxy)-cyclohexa-2,5-dienone compounds and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-12-11 US disclosed
US-20060100265-A1 4-(1-(sulfonyl)-1h-indol-2-yl)-4-(hydroxy)-cyclohexa-2,5-dienone compounds and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-05-11 US disclosed
EP-1572197-A1 4- 1- (SULFONYL) -1H-INDOL-2-YL)-4- (HYDROXY) -CYCLOHEXA-2,5-DIENONE COMPOUNDS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS Cancer Research Technology Limited (GB) 2005-09-14 EP disclosed
WO-2004056361-A1 4-(1-(SULFONYL)-1H-INDOL-2-YL)-4-(HYDROXY)-CYCLOHEXA-2,5-DIENONE COMPOUNDS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-07-08 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 (1 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-20060100265-A1 4-(1-(sulfonyl)-1h-indol-2-yl)-4-(hydroxy)-cyclohexa-2,5-dienone compounds and analogs thereof as therapeutic agents TXNRD1, TXNRD3, TXNRD2 PTGDR2 806/4885LMNA 3474/4885MMP2 2311/4885

“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.