SCHEMBL7521777

SCHEMBL7521777

Cc1ccc(S(=O)(=O)OC(C)N(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.39
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
AGER Q15109 1/20 0.38
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
CYP24A1 Q07973 1/20 0.35
F2 P00734 2/20 0.35
NR1D1 P20393 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
STAT5B P51692 1/20 0.34
CA12 O43570 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
SCHEMBL6268401 0.81 MMP13 (0.40) MMP13KMT2AALDH1A1MEN1AGER
SCHEMBL7548342 0.81 MMP13 (0.40) MMP13KMT2AALDH1A1MEN1AGER
SCHEMBL6252520 0.81 MMP13 (0.40) MMP13KMT2AALDH1A1MEN1AGER
SCHEMBL7521782 0.80 MMP13 (0.39) MMP13KMT2AALDH1A1MEN1MAPT
SCHEMBL6272255 0.79 KMT2A (0.39) MMP13KMT2AALDH1A1MEN1MAPT
SCHEMBL7412821 0.77 KMT2A (0.41) MMP13KMT2AALDH1A1MEN1POLB
SCHEMBL7366077 0.77 KMT2A (0.41) MMP13KMT2AALDH1A1MEN1POLB
SCHEMBL3465802 0.77 ALDH1A1 (0.38) MMP13KMT2AALDH1A1MEN1CYP24A1
SCHEMBL6272258 0.77 ALDH1A1 (0.38) MMP13KMT2AALDH1A1MEN1MAPT
SCHEMBL9459965 0.76 MMP13 (0.45) MMP13KMT2AALDH1A1MEN1AGER

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214288-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Targacept Inc. (US) 2002-06-19 EP disclosed
EP-1171127-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATIVES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION Targacept, Inc. (US) 2002-01-16 EP disclosed
WO-2001017943-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. (US) 2001-03-15 WO disclosed
WO-2000062767-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION TARGACEPT, INC. (US) 2000-10-26 WO disclosed
EP-1042274-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE R.J. REYNOLDS TOBACCO COMPANY (US) 2000-10-11 EP disclosed
WO-2000023418-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE R.J. REYNOLDS TOBACCO COMPANY (US) 2000-04-27 WO disclosed