SCHEMBL5212973

SCHEMBL5212973

CC(C)(C)[C@H]1c2ccccc2-c2ccccc2N1S(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
MMP2 P08253 2/20 0.46
PSEN1 P49768 11/20 0.42
PSEN2 P49810 11/20 0.42
APH1B Q8WW43 11/20 0.42
NCSTN Q92542 11/20 0.42
APH1A Q96BI3 11/20 0.42
PSENEN Q9NZ42 11/20 0.42
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNN4 O15554 1/20 0.37
KCNA3 P22001 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL5215097 1.00 ESR1 (0.46) ESR1MMP2PSEN1PSEN2APH1B
SCHEMBL5212982 1.00 ESR1 (0.46) ESR1MMP2PSEN1PSEN2APH1B
SCHEMBL5211850 0.88 MMP2 (0.41) ESR1MMP2PSEN1PSEN2APH1B
SCHEMBL5210469 0.85 GAA (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5213387 0.85 GAA (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5213143 0.85 GAA (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4953709 0.83 ESR1 (0.52) ESR1MMP2PSEN1PSEN2APH1B
SCHEMBL4953698 0.83 ESR1 (0.52) ESR1MMP2PSEN1PSEN2APH1B
SCHEMBL5211073 0.83 ESR1 (0.52) ESR1MMP2PSEN1PSEN2APH1B
SCHEMBL5213735 0.81 MMP2 (0.60) ESR1MMP2PSEN1PSEN2APH1B

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 10 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
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 (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 ESR1 19/4885MMP2 1120/4885PSEN1 3841/4885
US-20040167155-A1 Substituted dihydrophenanthridinesulfonamides TNNT2, TNNI3, SIRT5 ESR1 4598/4885MMP2 1176/4885PSEN1 4463/4885

“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.