SCHEMBL5213372

SCHEMBL5213372

CCC1c2ccccc2-c2cc(-c3ccc(-c4ccccc4)cc3)ccc2N1S(=O)(=O)c1ccc(O)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.45
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
TYMS P04818 1/20 0.36
BDKRB1 P46663 4/20 0.36
HSD17B2 P37059 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B1 P14061 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33

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
SCHEMBL5218041 0.95 PSEN1 (0.40) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5214234 0.94 PSEN1 (0.41) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5211692 0.93 EDNRB (0.40) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5211275 0.93 HSD17B1 (0.41) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5213672 0.93 PSEN1 (0.41) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5212520 0.93 PSEN1 (0.40) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5212787 0.92 PSEN1 (0.41) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5211067 0.92 PSEN1 (0.38) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5212588 0.92 ESR2 (0.44) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL5210946 0.90 PSEN1 (0.43) 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 9 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-6894061-B2 Substituted dihydrophenanthridinesulfonamides WYETH (US) 2005-05-17 US claimed
US-20040167155-A1 Substituted dihydrophenanthridinesulfonamides WYETH 2004-08-26 US 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 (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-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.