SCHEMBL5218258

SCHEMBL5218258

CCC1c2ccccc2-c2cc(-c3cccc(OC)c3)ccc2N1S(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.43
EDNRA P25101 2/20 0.43
BDKRB1 P46663 1/20 0.41
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
ESR1 P03372 1/20 0.39
FYN P06241 1/20 0.39
PAX8 Q06710 3/20 0.37
ABL1 P00519 2/20 0.37
ABCB1 P08183 2/20 0.37
BCR P11274 2/20 0.37
MMP2 P08253 2/20 0.36
MMP9 P14780 1/20 0.36
PLAU P00749 1/20 0.36
FAAH O00519 1/20 0.36
NAAA Q02083 1/20 0.36

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
SCHEMBL5215661 0.89 PSEN1 (0.44) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL5211740 0.89 PSEN1 (0.45) EDNRBEDNRABDKRB1PSEN1PSEN2
SCHEMBL5212694 0.89 PSEN1 (0.45) EDNRBEDNRABDKRB1PSEN1PSEN2
SCHEMBL5212072 0.89 PSEN1 (0.47) EDNRBEDNRABDKRB1PSEN1PSEN2
SCHEMBL5212014 0.87 PSEN1 (0.48) EDNRBEDNRABDKRB1PSEN1PSEN2
SCHEMBL5212292 0.85 PSEN1 (0.45) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL5214130 0.85 PSEN1 (0.43) EDNRBEDNRABDKRB1PSEN1PSEN2
SCHEMBL5212461 0.84 PSEN1 (0.44) EDNRBEDNRABDKRB1PSEN1PSEN2
SCHEMBL5211145 0.83 PSEN1 (0.42) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL5213187 0.83 PSEN1 (0.48) BDKRB1PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7304073-B2 Method of treating myocardial ischemia-reperfusion injury using NF-kB inhibitors WYETH (US) 2007-12-04 US claimed
EP-1567502-B1 SUBSTITUTED DIHYDROPHENANTHRIDINESUL FONAMIDES WYETH CORP (US) 2007-08-22 EP claimed
US-20060111421-A1 Method of treating or preventing myocardial ischemia-reperfusion injury using NF-kB inhibitors WYETH (US) 2006-05-25 US claimed
EP-1567502-A1 SUBSTITUTED DIHYDROPHENANTHRIDINESUL FONAMIDES Wyeth (US) 2005-08-31 EP claimed
US-6894061-B2 Substituted dihydrophenanthridinesulfonamides WYETH (US) 2005-05-17 US claimed
US-20040167155-A1 Substituted dihydrophenanthridinesulfonamides WYETH 2004-08-26 US claimed
WO-2004050631-A1 SUBSTITUTED DIHYDROPHENANTHRIDINESUL FONAMIDES WYETH (US) 2004-06-17 WO claimed
EP-1567502-B1 SUBSTITUTED DIHYDROPHENANTHRIDINESUL FONAMIDES WYETH CORP (US) 2007-08-22 EP disclosed
EP-1567502-A1 SUBSTITUTED DIHYDROPHENANTHRIDINESUL FONAMIDES Wyeth (US) 2005-08-31 EP disclosed
US-6894061-B2 Substituted dihydrophenanthridinesulfonamides WYETH (US) 2005-05-17 US disclosed
US-20040167155-A1 Substituted dihydrophenanthridinesulfonamides WYETH 2004-08-26 US disclosed
WO-2004050631-A1 SUBSTITUTED DIHYDROPHENANTHRIDINESUL FONAMIDES WYETH (US) 2004-06-17 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 (2 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-20060111421-A1 Method of treating or preventing myocardial ischemia-reperfusion injury using NF-kB inhibitors IKBKB, NFKBIA, IKBKG EDNRB 23/4885EDNRA 43/4885BDKRB1 194/4885
US-20040167155-A1 Substituted dihydrophenanthridinesulfonamides TNNT2, TNNI3, SIRT5 EDNRB 651/4885EDNRA 1322/4885BDKRB1 519/4885

“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.