SCHEMBL2338436

SCHEMBL2338436

COc1ccc(CN(C2CC(C)CCC2C)S(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 10/20 0.56
PSEN2 P49810 10/20 0.56
APH1B Q8WW43 10/20 0.56
NCSTN Q92542 10/20 0.56
APH1A Q96BI3 10/20 0.56
PSENEN Q9NZ42 10/20 0.56
KCNA5 P22460 1/20 0.52
CNR2 P34972 2/20 0.51
CNR1 P21554 1/20 0.51
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
MMP1 P03956 2/20 0.47
MMP9 P14780 2/20 0.47
MMP13 P45452 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47

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
SCHEMBL2338292 0.87 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2335394 0.87 ALDH1A1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2336734 0.84 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2333764 0.76 RORC (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2341600 0.75 ALDH1A1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2335603 0.75 ALDH1A1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2475366 0.75 ALDH1A1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5517387 0.74 PSEN1 (0.86) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2333801 0.74 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5509304 0.74 PSEN1 (0.86) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270902-A1 N-substituted benzene sulfonamides ELAN PHARMACEUTICALS, INC. (US) 2012-10-25 US claimed
US-20050245573-A1 N-substituted benzene sulfonamides ELAN PHARMACEUTICALS, INC. 2005-11-03 US claimed
US-20120270902-A1 N-substituted benzene sulfonamides ELAN PHARMACEUTICALS, INC. (US) 2012-10-25 US disclosed
US-8193389-B2 N-substituted benzene sulfonamides ELAN PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
EP-2374792-A1 N-substituted benzene sulfonamides Elan Pharmaceuticals Inc. (US) 2011-10-12 EP disclosed
EP-2360142-A1 N-substituted benzene sulfonamides Elan Pharmaceuticals Inc. (US) 2011-08-24 EP disclosed
US-20080045499-A1 Preferential Inhibition of Presenilin-1 ELAN PHARMACEUTICALS, INC. 2008-02-21 US disclosed
US-20080045499-A1 Preferential Inhibition of Presenilin-1 ELAN PHARMACEUTICALS, INC. 2008-02-21 US disclosed
US-20050245573-A1 N-substituted benzene sulfonamides ELAN PHARMACEUTICALS, INC. 2005-11-03 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 (3 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-20050245573-A1 N-substituted benzene sulfonamides PSEN1, PSEN2, BCHE PSEN1 1/4885PSEN2 2/4885APH1B 213/4885
US-20080045499-A1 Preferential Inhibition of Presenilin-1 PSEN1, PSEN2, BACE1 PSEN1 1/4885PSEN2 2/4885APH1B 8/4885
US-20120270902-A1 N-substituted benzene sulfonamides PSEN1, PSEN2, BCHE PSEN1 1/4885PSEN2 2/4885APH1B 213/4885

“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.