SCHEMBL7559963

SCHEMBL7559963

CS(=O)(=O)N1CCSc2ccccc2C1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 13/20 0.63
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
KDM1A O60341 1/20 0.40
NOTUM Q6P988 1/20 0.40
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7558332 0.86 RYR2 (0.53) RYR2NOTUMALDH1A1NPC1RAB9A
SCHEMBL13622172 0.85 RYR2 (0.53) RYR2NOTUMMEN1KMT2A
SCHEMBL13622077 0.81 RYR2 (0.52) RYR2ALDH1A1
SCHEMBL26344323 0.80 RYR2 (0.71) RYR2ESR1ESR2
SCHEMBL13387456 0.80 RYR2 (0.48) RYR2NOTUMMEN1KMT2A
SCHEMBL6866692 0.78 RYR2 (1.00) RYR2
SCHEMBL7581722 0.77 RYR2 (0.49) RYR2ESR1ESR2KDM1ANOTUM
SCHEMBL7555406 0.76 RYR2 (0.48) RYR2ESR1ESR2NOTUMALDH1A1
SCHEMBL7555246 0.76 RYR2 (0.48) RYR2KDM1ANOTUMALDH1A1MEN1
SCHEMBL1266336 0.74 ESR1 (0.49) ESR1ESR2NOTUMALDH1A1MEN1

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