SCHEMBL2331964

SCHEMBL2331964

COc1ccc(CN(C2CCCN(C(=O)OC(C)(C)C)C2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
LMNA P02545 2/20 0.51
HSD17B10 Q99714 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HIF1A Q16665 5/20 0.50
EP300 Q09472 1/20 0.50
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
USP2 O75604 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PSEN1 P49768 5/20 0.46
PSEN2 P49810 5/20 0.46
APH1B Q8WW43 5/20 0.46
NCSTN Q92542 5/20 0.46
APH1A Q96BI3 5/20 0.46
PSENEN Q9NZ42 5/20 0.46
NR1D1 P20393 1/20 0.45
GAA P10253 1/20 0.45
EPAS1 Q99814 4/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL8360870 0.86 NR1D1 (0.48) ALDH1A1LMNAHSD17B10SMN1; SMN2NPSR1
SCHEMBL8360879 0.86 JAK2 (0.51) ALDH1A1LMNAPSEN1PSEN2APH1B
SCHEMBL8363842 0.84 CNR1 (0.54) ALDH1A1LMNAMEN1KMT2A
SCHEMBL8363942 0.82 MMP1 (0.50) ALDH1A1LMNAPSEN1PSEN2APH1B
SCHEMBL8363934 0.81 MMP1 (0.48) ALDH1A1LMNAPSEN1PSEN2APH1B
SCHEMBL2336091 0.81 ALDH1A1 (0.66) ALDH1A1LMNAHSD17B10SMN1; SMN2HIF1A
SCHEMBL8360876 0.80 KCNA5 (0.55) ALDH1A1LMNAMEN1KMT2A
SCHEMBL8360843 0.80 CNR1 (0.49) ALDH1A1LMNAMEN1KMT2A
SCHEMBL8360883 0.79 STS (0.44) ALDH1A1HSD17B10SMN1; SMN2PSEN1PSEN2
SCHEMBL8363938 0.79 CNR1 (0.46) ALDH1A1LMNAHSD17B10SMN1; SMN2USP2

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.