SCHEMBL3276417

SCHEMBL3276417

CCC1c2ccccc2-c2sc(C=O)cc2N1S(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
MMP2 P08253 3/20 0.38
ESR1 P03372 2/20 0.36
BDKRB1 P46663 2/20 0.32
BACE1 P56817 1/20 0.32
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL13385108 0.91 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3277250 0.88 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3277044 0.87 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3278256 0.87 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3278098 0.85 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3283481 0.81 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3277164 0.81 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5215171 0.80 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3276875 0.79 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5211001 0.77 PSEN1 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696221-B2 Thienoisoquinoline-phenylsulfonamides and their use as ER-NFκB inhibitors WYETH LLC (US) 2010-04-13 US disclosed
US-20060154875-A1 Thienoisoquinoline-phenylsulfonamides and their use as ER-NFkappaB inhibitors WYETH (US) 2006-07-13 US 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-20060154875-A1 Thienoisoquinoline-phenylsulfonamides and their use as ER-NFkappaB inhibitors NFKBIA, IKBKB, IKBKE PSEN1 1085/4885PSEN2 1210/4885APH1B 3762/4885

“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.