SCHEMBL7598516

SCHEMBL7598516

COc1ccc(CS(=O)(=O)[C](C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.49
KMT2A Q03164 3/20 0.48
PLCG1 P19174 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
LDHA P00338 1/20 0.46
MEN1 O00255 2/20 0.46
IDO1 P14902 1/20 0.45
PKM P14618 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA5A P35218 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
F2RL1 P55085 1/20 0.44
POLB P06746 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL8737486 0.85 APLNR (0.46) APLNRKMT2APLCG1SMN1; SMN2HTT
SCHEMBL294920 0.80 APLNR (0.52) APLNRKMT2APLCG1HTTLDHA
SCHEMBL2717301 0.79 KMT2A (0.57) APLNRKMT2APLCG1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL28180679 0.78 APLNR (0.50) APLNRKMT2APLCG1HTTLDHA
Hydrochloric Acid SCHEMBL27633192 0.78 KMT2A (0.55) APLNRKMT2APLCG1SMN1; SMN2HTT
SCHEMBL2377998 0.78 APLNR (0.58) APLNRKMT2APLCG1SMN1; SMN2HTT
SCHEMBL3237396 0.78 PKM (0.56) APLNRKMT2APLCG1SMN1; SMN2HTT
SCHEMBL294919 0.78 APLNR (0.53) APLNRKMT2APLCG1SMN1; SMN2HTT
SCHEMBL30496480 0.78 PKM (0.56) APLNRKMT2APLCG1SMN1; SMN2HTT
SCHEMBL3237393 0.78 KMT2A (0.55) APLNRKMT2APLCG1SMN1; SMN2HTT

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