SCHEMBL2331482

SCHEMBL2331482

COc1ccc(CN(C2CCCCC2C)S(=O)(=O)c2ccc(Cl)cc2)cc1OC

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.83
CRHBP P24387 1/20 0.83
CRHR2 Q13324 1/20 0.83
PSEN1 P49768 9/20 0.55
PSEN2 P49810 9/20 0.55
APH1B Q8WW43 9/20 0.55
NCSTN Q92542 9/20 0.55
APH1A Q96BI3 9/20 0.55
PSENEN Q9NZ42 9/20 0.55
LMNA P02545 2/20 0.53
HSD17B10 Q99714 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPK1 P28482 1/20 0.49
USP2 O75604 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HIF1A Q16665 5/20 0.48
EPAS1 Q99814 4/20 0.48
EP300 Q09472 1/20 0.48
KCNA5 P22460 1/20 0.46

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
SCHEMBL2337725 0.92 ALDH1A1 (0.70) ALDH1A1CRHBPCRHR2PSEN1PSEN2
SCHEMBL20387953 0.89 ALDH1A1 (0.81) ALDH1A1CRHBPCRHR2LMNAHSD17B10
SCHEMBL2335394 0.88 ALDH1A1 (0.64) ALDH1A1CRHBPCRHR2PSEN1PSEN2
SCHEMBL20388025 0.87 ALDH1A1 (0.81) ALDH1A1CRHBPCRHR2PSEN1PSEN2
SCHEMBL2336091 0.86 ALDH1A1 (0.66) ALDH1A1CRHBPCRHR2PSEN1PSEN2
SCHEMBL2341197 0.83 ALDH1A1 (0.59) ALDH1A1CRHBPCRHR2PSEN1PSEN2
SCHEMBL2339742 0.83 ALDH1A1 (0.58) ALDH1A1CRHBPCRHR2PSEN1PSEN2
SCHEMBL20387951 0.83 ALDH1A1 (0.72) ALDH1A1CRHBPCRHR2LMNAHSD17B10
SCHEMBL2335312 0.82 PSEN1 (0.67) ALDH1A1CRHBPCRHR2PSEN1PSEN2
SCHEMBL20404576 0.81 ALDH1A1 (0.69) ALDH1A1CRHBPCRHR2PSEN1PSEN2

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 ALDH1A1 665/4885CRHBP 4272/4885CRHR2 2713/4885
US-20080045499-A1 Preferential Inhibition of Presenilin-1 PSEN1, PSEN2, BACE1 ALDH1A1 3298/4885CRHBP 3812/4885CRHR2 4442/4885
US-20120270902-A1 N-substituted benzene sulfonamides PSEN1, PSEN2, BCHE ALDH1A1 665/4885CRHBP 4272/4885CRHR2 2713/4885

“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.