SCHEMBL5264423

SCHEMBL5264423

[CH2]C(NS(=O)(=O)c1c(C)cc(C)cc1C)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 17/20 0.53
NR3C2 P08235 15/20 0.53
PGR P06401 12/20 0.53
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.44
MAPK1 P28482 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
SCHEMBL27612875 0.79 CA1 (0.55) NR3C1NR3C2PGRCA1CA2
SCHEMBL3230707 0.78 NR3C1 (0.61) NR3C1NR3C2PGRCA1CA2
SCHEMBL5135614 0.74 CA1 (0.59) NR3C1NR3C2PGRCA1CA2
SCHEMBL4438783 0.74 NR3C1 (0.48) NR3C1NR3C2PGRCA1CA2
SCHEMBL4442287 0.73 NR3C1 (0.49) NR3C1NR3C2PGRCA1CA2
SCHEMBL3227036 0.73 NR3C1 (0.73) NR3C1NR3C2PGR
SCHEMBL28199606 0.73 CA1 (0.57) NR3C1NR3C2PGRCA1CA2
SCHEMBL3223320 0.73 NR3C1 (0.79) NR3C1NR3C2PGR
SCHEMBL3226676 0.73 NR3C2 (0.73) NR3C1NR3C2PGR
SCHEMBL3220684 0.72 NR3C1 (0.67) NR3C1NR3C2PGR

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-1836166-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-09-26 EP claimed
WO-2006071609-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-07-06 WO claimed
EP-1836166-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-09-26 EP disclosed
WO-2006071609-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-07-06 WO disclosed