SCHEMBL4676633

SCHEMBL4676633

CC(=O)N1CCN(S(=O)(=O)N2CCC(c3c[nH]c4cc(C)ccc34)CC2)C(C(=O)NO)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
BRD4 O60885 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
CREBBP Q92793 1/20 0.45
MMP1 P03956 3/20 0.42
MMP9 P14780 3/20 0.42
MMP13 P45452 3/20 0.42
MMP3 P08254 2/20 0.42
MMP7 P09237 2/20 0.42
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
ADAM17 P78536 1/20 0.38
HTR1D P28221 2/20 0.37
HTR1B P28222 2/20 0.37
HTR1A P08908 1/20 0.37
HTR1F P30939 1/20 0.37
APP P05067 2/20 0.36
CCR2 P41597 2/20 0.36
PRKAB2 O43741 1/20 0.35

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
SCHEMBL4670906 0.85 HSD11B1 (0.49) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL4671470 0.77 MMP1 (0.45) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL7448712 0.77 DRD2 (0.46) HTR1DHTR1BHTR1ACCR2DRD2
SCHEMBL4675528 0.77 DRD2 (0.46) HTR1DHTR1BHTR1ACCR2DRD2
SCHEMBL4671384 0.77 HSD11B1 (0.47) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL4670881 0.76 HSD11B1 (0.46) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL8106285 0.76 KDM4E (0.61) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL18324794 0.74 IDO1 (0.47) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL4670825 0.73 SLC6A4 (0.43) MMP9ADAM17HTR1BHTR1AHTR2A
SCHEMBL4671507 0.73 HSD11B1 (0.46) HTR1DHTR1BHTR1AHTR1FCCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed
EP-0958287-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-24 EP disclosed
WO-1998032748-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 WO disclosed