SCHEMBL7558332

SCHEMBL7558332

CCS(=O)(=O)N1CCSc2ccccc2C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 11/20 0.53
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
NOTUM Q6P988 1/20 0.39

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
SCHEMBL13622077 0.91 RYR2 (0.52) RYR2KDM4EALDH1A1MAPT
SCHEMBL7559963 0.86 RYR2 (0.63) RYR2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL13622172 0.84 RYR2 (0.53) RYR2KMT2ANOTUM
SCHEMBL13387456 0.79 RYR2 (0.48) RYR2KMT2ANOTUM
SCHEMBL7556815 0.77 GAA (0.40) RYR2KDM4EALDH1A1NPSR1NPC1
SCHEMBL9636604 0.76 RYR2 (0.54) RYR2ALDH1A1NOTUM
SCHEMBL2692755 0.75 MAPT (0.49) KDM4EALDH1A1NPSR1NPC1RAB9A
SCHEMBL17227611 0.75 KMT2A (0.62) NPSR1KMT2APOLBMAPTHTT
SCHEMBL6867136 0.74 RYR2 (0.76) RYR2ALDH1A1KMT2APOLBMAPT
SCHEMBL8248175 0.73 RYR2 (0.57) RYR2NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2764867-A1 Agents for preventing and treating disorders Involving modulation of the RYR receptors The Trustees of Columbia University in the City of New York (US) 2014-08-13 EP claimed
EP-1218010-A2 1,4-BENZOTHIAZEPINES TO TREAT OBESITY RELATED DISORDERS Knoll GmbH (DE) 2002-07-03 EP claimed
WO-2001000185-A2 1,4-DENZOTHIAZEPINES TO TREAT OBESITY RELATED DISORDERS KNOLL GMBH (DE) 2001-01-04 WO claimed
EP-0667866-B1 1,4-BENZOTHIAZEPINES USEFUL AS NEUROLOGICAL AGENTS KNOLL AG (DE) 1998-03-11 EP claimed
US-5580866-A Therapeutic 1,4-thiazepines THE BOOTS COMPANY PLC (GB) 1996-12-03 US claimed
EP-0667866-A1 1,4-BENZOTHIAZEPINES USEFUL AS NEUROLOGICAL AGENTS Knoll AG (DE) 1995-08-23 EP claimed
WO-1994011360-A1 1,4-BENZOTHIAZEPINES USEFUL AS NEUROLOGICAL AGENTS THE BOOTS COMPANY PLC (GB) 1994-05-26 WO claimed
EP-1218010-A2 1,4-BENZOTHIAZEPINES TO TREAT OBESITY RELATED DISORDERS Knoll GmbH (DE) 2002-07-03 EP disclosed
WO-2001000185-A2 1,4-DENZOTHIAZEPINES TO TREAT OBESITY RELATED DISORDERS KNOLL GMBH (DE) 2001-01-04 WO disclosed
EP-0667866-B1 1,4-BENZOTHIAZEPINES USEFUL AS NEUROLOGICAL AGENTS KNOLL AG (DE) 1998-03-11 EP disclosed
US-5580866-A Therapeutic 1,4-thiazepines THE BOOTS COMPANY PLC (GB) 1996-12-03 US disclosed
EP-0667866-A1 1,4-BENZOTHIAZEPINES USEFUL AS NEUROLOGICAL AGENTS Knoll AG (DE) 1995-08-23 EP disclosed
WO-1994011360-A1 1,4-BENZOTHIAZEPINES USEFUL AS NEUROLOGICAL AGENTS THE BOOTS COMPANY PLC (GB) 1994-05-26 WO disclosed