SCHEMBL4150281

SCHEMBL4150281

CC(C)(CC1(C(F)(F)F)CO1)c1cc(-c2cccnc2)cc2c1OCC2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.38
NR3C1 P04150 7/20 0.38
PGR P06401 7/20 0.38
NR3C2 P08235 7/20 0.38
CYP1A2 P05177 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
CYP11B2 P19099 8/20 0.35
CYP11B1 P15538 5/20 0.34
ERN1 O75460 1/20 0.33
CYP19A1 P11511 1/20 0.33
PDK2 Q15119 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
SCHEMBL4170051 0.88 NR3C1 (0.39) NR3C1PGRNR3C2
SCHEMBL4167085 0.79 CYP1A2 (0.42) PDE4BNR3C1PGRNR3C2CYP1A2
SCHEMBL12534236 0.78 NR3C1 (0.45) NR3C1PGRNR3C2
SCHEMBL5363258 0.77 NR3C1 (0.46) NR3C1PGRNR3C2
SCHEMBL5355509 0.77 NR3C1 (0.43) NR3C1PGRNR3C2
SCHEMBL5355518 0.77 NR3C1 (0.43) NR3C1PGRNR3C2
SCHEMBL303903 0.76 NR3C1 (0.46) NR3C1PGRNR3C2
SCHEMBL4167063 0.75 NR3C1 (0.33) NR3C1PGRNR3C2
SCHEMBL4168320 0.73 NR3C1 (0.49) NR3C1PGRNR3C2
SCHEMBL4442883 0.72 NR3C1 (0.39) PDE4BNR3C1PGRNR3C2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176807-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF REGAN JOHN ROBINSON 2009-07-09 US disclosed
US-20090176807-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF REGAN JOHN ROBINSON 2009-07-09 US disclosed
US-20090176807-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF REGAN JOHN ROBINSON 2009-07-09 US disclosed
EP-1730145-A1 ALPHA-TRIFLUOROMETHYL ALCOHOLS OR AMINES AS GLUCOCORTICOID MIMETICS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-12-13 EP disclosed
US-20050234091-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-10-20 US disclosed
WO-2005095401-A1 ALPHA-TRIFLUOROMETHYL ALCOHOLS OR AMINES AS GLUCOCORTICOID MIMETICS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-10-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090176807-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF NR3C1, NR3C2, MC2R PDE4B 1100/4885NR3C1 1/4885PGR 71/4885
US-20050234091-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof NR3C1, MC2R, NR3C2 PDE4B 1186/4885NR3C1 1/4885PGR 64/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.