SCHEMBL7043663

SCHEMBL7043663

CC(C)C[C@@H](C(=O)OC(C)(C)C)[C@H](CNCS(C)(=O)=O)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.42
SYK P43405 1/20 0.41
CTSK P43235 5/20 0.41
POLB P06746 3/20 0.41
CTSB P07858 1/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PSMB1 P20618 1/20 0.39
PSMB2 P49721 1/20 0.39
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7043661 1.00 PSMB5 (0.42) PSMB5SYKCTSKPOLBCTSB
SCHEMBL7045460 0.88 CTSB (0.44) PSMB5CTSKCTSBPSMB1PSMB2
SCHEMBL7040579 0.85 SYK (0.46) SYKCTSKPOLBCTSBMAPT
SCHEMBL5682213 0.85 SYK (0.46) SYKCTSKPOLBCTSBMAPT
SCHEMBL7038314 0.82 CTSK (0.37) PSMB5CTSKCTSBPSMB1PSMB2
SCHEMBL6985902 0.80 POLB (0.41) PSMB5SYKCTSKPOLBMAPT
SCHEMBL9327711 0.79 CTSK (0.48) SYKCTSKPOLBCTSBMAPT
SCHEMBL5682124 0.79 POLB (0.45) PSMB5SYKCTSKPOLBCTSB
SCHEMBL9327912 0.79 CTSK (0.45) SYKCTSKPOLBCTSBMAPT
SCHEMBL5682158 0.78 PSMB5 (0.40) PSMB5SYKCTSKPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998454-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2003-03-26 EP disclosed
US-6358987-B1 FOR THERAPY AND PROPHYLAXIS OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL EPIDERMAL OR GASTRIC ULCERATION, AND TUMOUR METASTASIS, INVASION AND GROWTH BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-03-19 US disclosed
US-6271262-B1 AMIDESULFONAMIDE COMPOUNDS AS ENZYME INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-08-07 US disclosed