SCHEMBL4436558

SCHEMBL4436558

Cc1cc(C)c(S(=O)(=O)NC(C(S)c2cc(C)ccc2C)C(F)(F)F)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 18/20 0.46
NR3C2 P08235 15/20 0.46
PGR P06401 11/20 0.46
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 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
SCHEMBL4438109 0.91 NR3C1 (0.47) NR3C1NR3C2PGRCYP1A2CYP3A4
SCHEMBL4564511 0.89 NR3C1 (0.44) NR3C1NR3C2PGRCYP1A2CYP3A4
SCHEMBL4442395 0.84 NR3C1 (0.47) NR3C1NR3C2PGRCYP1A2CYP3A4
SCHEMBL4438783 0.83 NR3C1 (0.48) NR3C1NR3C2PGRCYP1A2CYP3A4
SCHEMBL4441064 0.82 NR3C1 (0.49) NR3C1NR3C2PGRCYP1A2CYP3A4
SCHEMBL4437180 0.82 NR3C1 (0.49) NR3C1NR3C2PGRCYP1A2CYP3A4
SCHEMBL4434978 0.82 NR3C1 (0.49) NR3C1NR3C2PGRCYP1A2CYP3A4
SCHEMBL4436561 0.81 NR3C1 (0.43) NR3C1NR3C2PGRCYP1A2CYP3A4
SCHEMBL4441939 0.81 NR3C1 (0.51) NR3C1NR3C2PGRCYP1A2CYP3A4
SCHEMBL4437954 0.81 NR3C1 (0.43) NR3C1NR3C2PGRCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2136811-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2009-12-30 EP claimed
WO-2008124745-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 WO claimed
EP-2136811-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2009-12-30 EP disclosed
WO-2008124745-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 WO disclosed