SCHEMBL5210795

SCHEMBL5210795

CCC1c2cc(F)ccc2-c2ccccc2N1S(=O)(=O)c1ccc(O)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 6/20 0.48
PSEN1 P49768 10/20 0.47
PSEN2 P49810 10/20 0.47
APH1B Q8WW43 10/20 0.47
NCSTN Q92542 10/20 0.47
APH1A Q96BI3 10/20 0.47
PSENEN Q9NZ42 10/20 0.47
HSD17B3 P37058 1/20 0.35
HSD17B2 P37059 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
SCHEMBL5212379 0.89 PSEN1 (0.43) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL5214972 0.87 PSEN1 (0.48) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL5214883 0.87 PSEN1 (0.46) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL5211455 0.81 PSEN1 (0.47) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL5213228 0.81 PSEN1 (0.43) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL5286963 0.81 PSEN1 (0.46) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL2520204 0.80 BDKRB1 (0.59) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL5210590 0.80 PSEN1 (0.42) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL5213597 0.79 PSEN1 (0.42) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL2515348 0.79 BDKRB1 (0.58) BDKRB1

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 BDKRB1 194/4885PSEN1 3841/4885PSEN2 3672/4885
US-20040167155-A1 Substituted dihydrophenanthridinesulfonamides TNNT2, TNNI3, SIRT5 BDKRB1 519/4885PSEN1 4463/4885PSEN2 4112/4885

“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.