SCHEMBL4673429

SCHEMBL4673429

O=S(=O)(Cl)NN1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 7/20 0.50
PROKR1 Q8TCW9 7/20 0.50
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45
EPHX2 P34913 4/20 0.44
HRH1 P35367 2/20 0.44
CCR3 P51677 2/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC6A4 P31645 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.41
ACLY P53396 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41

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
SCHEMBL4752293 0.81 FPR2 (0.57) FPR2PROKR1MMP12MMP13EPHX2
SCHEMBL4753032 0.73 FPR2 (0.47) FPR2PROKR1MMP12MMP13EPHX2
SCHEMBL7486858 0.73 LIPE (0.49) EPHX2HRH1CCR3MAPTSMN1; SMN2
SCHEMBL27028609 0.73 SLC6A4 (0.62) FPR2PROKR1EPHX2HRH1SLC6A4
SCHEMBL22642435 0.73 SLC6A4 (0.50) FPR2PROKR1MMP12MMP13EPHX2
SCHEMBL8302495 0.73 HRH3 (0.63) FPR2PROKR1SMN1; SMN2SLC6A4SLC6A2
SCHEMBL21004323 0.72 FPR2 (0.46) FPR2PROKR1MMP12MMP13EPHX2
SCHEMBL12099594 0.72 EPHX2 (0.48) FPR2PROKR1MMP12MMP13EPHX2
SCHEMBL8096418 0.72 FPR2 (0.46) FPR2PROKR1MMP12MMP13EPHX2
SCHEMBL1256120 0.71 EPHX2 (0.60) EPHX2HRH1CCR3KCNH2GRIN2D

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