SCHEMBL1725347

SCHEMBL1725347

CC(O)(c1cccc(C(Br)C=O)c1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.37
CES2 O00748 1/20 0.35
ACP3 P15309 1/20 0.35
PNMT P11086 1/20 0.35
PTPN5 P54829 1/20 0.33

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
SCHEMBL21495044 0.81 HDAC8 (0.41) CES2ACP3
SCHEMBL40176 0.81 ACP3 (0.47) CES2ACP3PNMT
SCHEMBL12026601 0.78 PTPN5 (0.48) HSD11B1CES2ACP3PNMTPTPN5
SCHEMBL12753476 0.73 HDAC4 (0.46) HSD11B1PNMT
SCHEMBL1701121 0.72 ADRB1 (0.43)
SCHEMBL1726061 0.72 APP (0.36) CES2PNMT
SCHEMBL12170409 0.71 CA1 (0.47) HSD11B1
SCHEMBL13965654 0.70 PTPN5 (0.46) HSD11B1PTPN5
SCHEMBL17914398 0.70 ACHE (0.50) HSD11B1
SCHEMBL10165224 0.70 HSD11B1 (0.43) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403840-A1 DERIVATIVES OF BENZOTHIAZINES, PREPARATION THEREOF AND APPLICATION THEREOF AS DRUGS Pierre Fabre Médicament (FR) 2012-01-11 EP disclosed
WO-2010100139-A1 DERIVATIVES OF BENZOTHIAZINES, PREPARATION THEREOF AND APPLICATION THEREOF AS DRUGS PIERRE FABRE MEDICAMENT (FR) 2010-09-10 WO disclosed