SCHEMBL7594444

SCHEMBL7594444

COc1ccc(C[S+]([O-])C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.48
LTA4H P09960 1/20 0.47
IDO1 P14902 3/20 0.45
AGXT P21549 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
LDHA P00338 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 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
SCHEMBL3387953 0.79 IDO1 (0.52) SLC6A4LTA4HIDO1AGXTTAAR1
SCHEMBL5519899 0.78 IDO1 (0.50) SLC6A4LTA4HIDO1AGXTTAAR1
SCHEMBL7597521 0.77 SIGMAR1 (0.43) SLC6A4TAAR1CYP2D6ALDH1A1TP53
SCHEMBL7673581 0.73 IDO1 (0.50) SLC6A4LTA4HIDO1AGXTTAAR1
SCHEMBL6209485 0.73 ALDH1A1 (0.46) SLC6A4SMN1; SMN2ALDH1A1HTT
SCHEMBL12934387 0.72 LTA4H (0.67) LTA4HIDO1SMN1; SMN2ALDH1A1HTT
SCHEMBL827300 0.70 AOC3 (0.49) IDO1CA1CA2CYP1A2CYP2D6
SCHEMBL29285349 0.70 LTA4H (0.53) LTA4HIDO1AGXTSMN1; SMN2ALDH1A1
SCHEMBL18239234 0.69 PYCR1 (0.46) SLC6A4LTA4HIDO1AGXTTAAR1
SCHEMBL16383175 0.69 SLC6A4 (0.69) SLC6A4LTA4HIDO1AGXTTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0905126-B1 Metalloproteinase inhibitors BRITISH BIOTECH PHARM (GB) 2002-12-04 EP claimed
EP-0740655-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 1999-10-20 EP claimed
US-5902791-A TREATING RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTAL DISEASE, GINGIVITIS, CORNEAL ULCERATION OR TUMOR METASTASES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-05-11 US claimed
EP-0905126-A1 Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-03-31 EP claimed
EP-0740655-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-11-06 EP claimed
WO-1995019961-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-07-27 WO claimed
EP-0905126-B1 Metalloproteinase inhibitors BRITISH BIOTECH PHARM (GB) 2002-12-04 EP disclosed
EP-0861226-B1 SYNTHESIS OF CARBOXYLIC ACID DERIVATIVES BRITISH BIOTECH PHARM (GB) 2000-02-23 EP disclosed
US-6017889-A Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-01-25 US disclosed
US-5986132-A Synthesis of carboxylic acid derivatives BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 1999-11-16 US disclosed
EP-0740655-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 1999-10-20 EP disclosed
US-5902791-A TREATING RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTAL DISEASE, GINGIVITIS, CORNEAL ULCERATION OR TUMOR METASTASES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-05-11 US disclosed
EP-0905126-A1 Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-03-31 EP disclosed
EP-0861226-A1 SYNTHESIS OF CARBOXYLIC ACID DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-09-02 EP disclosed
WO-1997019050-A1 SYNTHESIS OF CARBOXYLIC ACID DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-05-29 WO disclosed
EP-0740655-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-11-06 EP disclosed
WO-1995019961-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-07-27 WO disclosed