SCHEMBL5213470

SCHEMBL5213470

CCCCC1c2ccccc2-c2cc(Br)ccc2N1S(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
ESR1 P03372 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 2/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
PTGS1 P23219 1/20 0.36
RAB9A P51151 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
SCHEMBL5211001 0.89 PSEN1 (0.47) MMP2PSEN1PSEN2APH1BNCSTN
SCHEMBL5213946 0.89 PSEN1 (0.43) MMP2PSEN1PSEN2APH1BNCSTN
SCHEMBL5213484 0.89 PSEN1 (0.41) MMP2PSEN1PSEN2APH1BNCSTN
SCHEMBL5213734 0.82 PSEN1 (0.44) MMP2PSEN1PSEN2APH1BNCSTN
SCHEMBL27617676 0.80 ALDH1A1 (0.32) ESR1ALDH1A1CYP3A4CYP1A2MAPK1
SCHEMBL5211850 0.79 MMP2 (0.41) MMP2PSEN1PSEN2APH1BNCSTN
SCHEMBL5212072 0.79 PSEN1 (0.47) MMP2PSEN1PSEN2APH1BNCSTN
SCHEMBL5213479 0.79 PSEN1 (0.41) MMP2PSEN1PSEN2APH1BNCSTN
SCHEMBL5210911 0.78 PSEN1 (0.45) MMP2PSEN1PSEN2APH1BNCSTN
SCHEMBL5215171 0.78 PSEN1 (0.55) MMP2PSEN1PSEN2APH1BNCSTN

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 MMP2 1120/4885PSEN1 3841/4885PSEN2 3672/4885
US-20040167155-A1 Substituted dihydrophenanthridinesulfonamides TNNT2, TNNI3, SIRT5 MMP2 1176/4885PSEN1 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.