SCHEMBL700037

SCHEMBL700037

COc1cc(C)c(S(=O)(=O)N2c3ccccc3CCC2COCC(=O)N2CCC(CCCN3CCCC3)(c3cccnc3)CC2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.39
PSEN2 P49810 6/20 0.39
APH1B Q8WW43 6/20 0.39
NCSTN Q92542 6/20 0.39
APH1A Q96BI3 6/20 0.39
PSENEN Q9NZ42 6/20 0.39
BDKRB1 P46663 9/20 0.39
APP P05067 3/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL702073 0.93 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3441594 0.90 BDKRB1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3441596 0.90 BDKRB1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL702190 0.89 NPC1 (0.37) BDKRB1ALDH1A1
SCHEMBL702002 0.88 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL703139 0.87 BDKRB1 (0.39) BDKRB1ALDH1A1
SCHEMBL10246334 0.87 BDKRB1 (0.39) BDKRB1ALDH1A1
Hydrochloric Acid SCHEMBL704835 0.86 BDKRB1 (0.38) BDKRB1ALDH1A1
SCHEMBL701846 0.86 BDKRB1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4299396 0.84 BDKRB1 (0.40) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US claimed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US claimed
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-20090264407-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-20090264407-A1 Substituted Sulfonamide Compounds CNR1, SUCNR1, OPRL1 PSEN1 1053/4885PSEN2 923/4885APH1B 1982/4885

“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.