SCHEMBL4953709

SCHEMBL4953709

CC1c2ccccc2-c2ccccc2N1S(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.52
PSEN1 P49768 11/20 0.52
PSEN2 P49810 11/20 0.52
APH1B Q8WW43 11/20 0.52
NCSTN Q92542 11/20 0.52
APH1A Q96BI3 11/20 0.52
PSENEN Q9NZ42 11/20 0.52
GPR3 P46089 1/20 0.46
MMP2 P08253 2/20 0.46
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.40
KCNN4 O15554 1/20 0.39
KCNA3 P22001 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL5211073 1.00 ESR1 (0.52) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL4953698 1.00 ESR1 (0.52) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5212936 0.91 PSEN1 (0.49) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL14337692 0.87 PSEN1 (0.47) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5211086 0.87 PSEN1 (0.47) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5213734 0.87 PSEN1 (0.44) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL4952616 0.86 PSEN1 (0.51) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5210979 0.86 PSEN1 (0.53) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5214317 0.86 PSEN1 (0.51) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5211327 0.86 PSEN1 (0.56) ESR1PSEN1PSEN2APH1BNCSTN

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 14 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
US-7378427-B2 Processes for preparing 6-alkyl-5-arylsulfonyl-dihydrophenanthridines WYETH (US) 2008-05-27 US disclosed
EP-1567502-B1 SUBSTITUTED DIHYDROPHENANTHRIDINESUL FONAMIDES WYETH CORP (US) 2007-08-22 EP disclosed
US-20060025436-A1 Processes for preparing 6-alkyl-5-arylsulfonyl-dihydrophenanthridines WYETH (US) 2006-02-02 US 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 (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-20060111421-A1 Method of treating or preventing myocardial ischemia-reperfusion injury using NF-kB inhibitors IKBKB, NFKBIA, IKBKG ESR1 19/4885PSEN1 3841/4885PSEN2 3672/4885
US-20060025436-A1 Processes for preparing 6-alkyl-5-arylsulfonyl-dihydrophenanthridines QDPR, RPS9, RPS4Y1 ESR1 1421/4885PSEN1 3597/4885PSEN2 3136/4885
US-20040167155-A1 Substituted dihydrophenanthridinesulfonamides TNNT2, TNNI3, SIRT5 ESR1 4598/4885PSEN1 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.