SCHEMBL4674308

SCHEMBL4674308

C[Si](C)(C)CCS(=O)(=O)n1cc(C2CCN(C(=O)OCc3ccccc3)CC2)c2cc(C#N)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
PGGT1B P53609 2/20 0.41
JAK2 O60674 4/20 0.40
JAK1 P23458 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TYK2 P29597 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
JAK3 P52333 2/20 0.40
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
CETP P11597 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
MGLL Q99685 1/20 0.38
GRIN2B Q13224 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
FAAH O00519 1/20 0.36

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
SCHEMBL4671109 0.88 SMN1; SMN2 (0.44) FNTAFNTBPGGT1BJAK2JAK1
SCHEMBL7448879 0.79 FNTA (0.41) FNTAFNTBPGGT1BJAK2JAK1
SCHEMBL4673679 0.77 HTR6 (0.37) JAK2JAK1SMN1; SMN2TYK2NPC1
SCHEMBL4673870 0.75 MMP9 (0.45) JAK2JAK1TYK2JAK3PTGDR2
SCHEMBL4676594 0.73 SLC6A4 (0.53) JAK2JAK1SMN1; SMN2TYK2NPC1
SCHEMBL2710771 0.72 SMN1; SMN2 (0.47) FNTAFNTBPGGT1BSMN1; SMN2NPC1
SCHEMBL7444087 0.72 SMN1; SMN2 (0.44) FNTAFNTBPGGT1BJAK2JAK1
SCHEMBL2709553 0.71 CETP (0.48) FNTAFNTBPGGT1BSMN1; SMN2NPC1
SCHEMBL3678518 0.71 SMN1; SMN2 (0.60) FNTAFNTBPGGT1BSMN1; SMN2NPC1
SCHEMBL171260 0.69 FNTA (0.55) FNTAFNTBPGGT1BJAK2JAK1

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-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