SCHEMBL4673679

SCHEMBL4673679

C[Si](C)(C)CCS(=O)(=O)n1cc(C2CCN(S(=O)(=O)N3CCN(C(=O)OCc4ccccc4)CC3C(=O)O)CC2)c2cc(F)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.37
JAK2 O60674 5/20 0.36
JAK1 P23458 5/20 0.36
MMP1 P03956 2/20 0.36
MMP3 P08254 2/20 0.36
MMP7 P09237 2/20 0.36
MMP9 P14780 2/20 0.36
MMP13 P45452 1/20 0.36
TYK2 P29597 3/20 0.35
JAK3 P52333 3/20 0.35
USP30 Q70CQ3 1/20 0.35
TRPC3 Q13507 1/20 0.35
TRPC7 Q9HCX4 1/20 0.35
PTGDR2 Q9Y5Y4 4/20 0.34
MMP2 P08253 1/20 0.34
MMP8 P22894 1/20 0.34
PDE4B Q07343 1/20 0.34
HRH2 P25021 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL4673870 0.94 MMP9 (0.45) HTR6JAK2JAK1MMP1MMP3
SCHEMBL4674308 0.77 FNTA (0.41) JAK2JAK1TYK2JAK3PTGDR2
SCHEMBL4671070 0.72 MMP1 (0.49) JAK2JAK1MMP1MMP3MMP7
SCHEMBL4671109 0.65 SMN1; SMN2 (0.44) HTR6JAK2JAK1TYK2JAK3
SCHEMBL4676349 0.65 HTT (0.36) JAK2JAK1MMP1MMP3MMP7
SCHEMBL4674974 0.64 MMP9 (0.49) HTR6JAK2JAK1MMP1MMP3
SCHEMBL7229324 0.62 MMP9 (0.58) MMP1MMP3MMP7MMP9MMP13
SCHEMBL4405607 0.61 SMN1; SMN2 (0.50) TRPC3TRPC7PDE4BNPC1RAB9A
SCHEMBL5259400 0.61 SMN1; SMN2 (0.50) TRPC3TRPC7PDE4BNPC1RAB9A
SCHEMBL31443404 0.61 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2

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 5 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-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed