SCHEMBL2336091

SCHEMBL2336091

COc1ccc(CN(C2CCCCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
LMNA P02545 2/20 0.66
HSD17B10 Q99714 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
CRHBP P24387 1/20 0.61
CRHR2 Q13324 1/20 0.61
HIF1A Q16665 6/20 0.61
EPAS1 Q99814 5/20 0.61
PSEN1 P49768 7/20 0.60
PSEN2 P49810 7/20 0.60
APH1B Q8WW43 7/20 0.60
NCSTN Q92542 7/20 0.60
APH1A Q96BI3 7/20 0.60
PSENEN Q9NZ42 7/20 0.60
USP2 O75604 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
EP300 Q09472 1/20 0.60
MAPK1 P28482 1/20 0.57
CNR1 P21554 1/20 0.55
CNR2 P34972 1/20 0.55

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
SCHEMBL2339742 0.90 ALDH1A1 (0.58) ALDH1A1LMNAHSD17B10SMN1; SMN2CRHBP
SCHEMBL2331482 0.86 ALDH1A1 (0.83) ALDH1A1LMNAHSD17B10SMN1; SMN2CRHBP
SCHEMBL2337725 0.84 ALDH1A1 (0.70) ALDH1A1LMNAHSD17B10SMN1; SMN2CRHBP
SCHEMBL2398980 0.84 PSEN1 (0.85) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1877844 0.84 PSEN1 (0.85) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14275134 0.84 PSEN1 (0.85) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5524780 0.83 PSEN1 (0.84) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1874715 0.83 PSEN1 (0.84) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2334245 0.83 ALDH1A1 (0.51) ALDH1A1LMNAHSD17B10SMN1; SMN2CRHBP
SCHEMBL2331291 0.83 ALDH1A1 (0.51) ALDH1A1LMNAHSD17B10SMN1; SMN2CRHBP

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 11 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
EP-1723102-A2 N-SUBSTITUTED BENZENE SULFONAMIDES Elan Pharmaceuticals, Inc. (US) 2006-11-22 EP claimed
US-20050245573-A1 N-substituted benzene sulfonamides ELAN PHARMACEUTICALS, INC. 2005-11-03 US claimed
WO-2005090296-A2 N-SUBSTITUTED BENZENE SULFONAMIDES ELAN PHARMACEUTICALS, INC. (US) 2005-09-29 WO 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
EP-1723102-A2 N-SUBSTITUTED BENZENE SULFONAMIDES Elan Pharmaceuticals, Inc. (US) 2006-11-22 EP disclosed
US-20050245573-A1 N-substituted benzene sulfonamides ELAN PHARMACEUTICALS, INC. 2005-11-03 US disclosed
WO-2005090296-A2 N-SUBSTITUTED BENZENE SULFONAMIDES ELAN PHARMACEUTICALS, INC. (US) 2005-09-29 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 (2 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 665/4885LMNA 3051/4885HSD17B10 1761/4885
US-20120270902-A1 N-substituted benzene sulfonamides PSEN1, PSEN2, BCHE ALDH1A1 665/4885LMNA 3051/4885HSD17B10 1761/4885

“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.