SCHEMBL5211630

SCHEMBL5211630

CC1c2ccccc2-c2cc(Br)ccc2N1S(=O)(=O)c1ccc(O)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.40
PSEN2 P49810 11/20 0.40
APH1B Q8WW43 11/20 0.40
NCSTN Q92542 11/20 0.40
APH1A Q96BI3 11/20 0.40
PSENEN Q9NZ42 11/20 0.40
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ESR1 P03372 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP2 P08253 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32

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
SCHEMBL5213232 0.89 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5211186 0.88 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5213734 0.87 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5214387 0.86 PTGS2 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5210845 0.81 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5212163 0.80 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5213062 0.79 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5210471 0.79 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5212101 0.78 L3MBTL1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5210675 0.78 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A

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 PSEN1 3841/4885PSEN2 3672/4885APH1B 3863/4885
US-20040167155-A1 Substituted dihydrophenanthridinesulfonamides TNNT2, TNNI3, SIRT5 PSEN1 4463/4885PSEN2 4112/4885APH1B 2482/4885

“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.