SCHEMBL4299396

SCHEMBL4299396

COc1cc(C)c(S(=O)(=O)N2c3ccccc3CCC2COCC(=O)N2CCC(OCCN3CCCC3)(c3ccncc3)CC2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 13/20 0.40
PSEN1 P49768 6/20 0.38
PSEN2 P49810 6/20 0.38
APH1B Q8WW43 6/20 0.38
NCSTN Q92542 6/20 0.38
APH1A Q96BI3 6/20 0.38
PSENEN Q9NZ42 6/20 0.38
APP P05067 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
SCHEMBL3441594 0.93 BDKRB1 (0.40) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL3441596 0.93 BDKRB1 (0.40) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL4297681 0.90 BDKRB1 (0.39) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL702073 0.89 PSEN1 (0.40) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL4299654 0.89 NPC1 (0.40) BDKRB1
SCHEMBL4292848 0.86 BDKRB1 (0.40) BDKRB1
SCHEMBL3441730 0.86 BDKRB1 (0.40) BDKRB1
SCHEMBL700037 0.84 PSEN1 (0.39) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL4299141 0.82 NPC1 (0.38) BDKRB1
SCHEMBL4297475 0.80 PSEN1 (0.42) BDKRB1PSEN1PSEN2APH1BNCSTN

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US claimed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US claimed
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 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-20090264400-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 BDKRB1 1/4885PSEN1 990/4885PSEN2 1516/4885

“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.