SCHEMBL3277918

SCHEMBL3277918

C[C@@H]1c2ccccc2-c2sc(Br)cc2N1S(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.41
PSEN2 P49810 12/20 0.41
APH1B Q8WW43 12/20 0.41
NCSTN Q92542 12/20 0.41
APH1A Q96BI3 12/20 0.41
PSENEN Q9NZ42 12/20 0.41
ESR1 P03372 1/20 0.41
MMP2 P08253 2/20 0.38
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL3277400 1.00 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3277124 1.00 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3276435 0.88 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3277401 0.88 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3278486 0.87 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3277065 0.87 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3277044 0.86 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3276270 0.81 ESR1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5213734 0.81 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4953709 0.80 ESR1 (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 5 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 claimed
US-20060154875-A1 Thienoisoquinoline-phenylsulfonamides and their use as ER-NFkappaB inhibitors WYETH (US) 2006-07-13 US claimed
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
WO-2006069182-A2 THIENOISOQUINOLINE-PHENYLSULFONAMIDES AND THEIR USE AS ER-NFkB INHIBITORS WYETH (US) 2006-06-29 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-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.