SCHEMBL303903

SCHEMBL303903

CC(C)(CC1(C(F)(F)F)CO1)c1cccc2c1OCC2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 10/20 0.46
NR3C2 P08235 9/20 0.44
PGR P06401 8/20 0.44
AR P10275 1/20 0.38
PARP1 P09874 1/20 0.35
ALDH1A1 P00352 1/20 0.31
PTGES O14684 1/20 0.30

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
SCHEMBL12534236 0.81 NR3C1 (0.45) NR3C1NR3C2PGRPARP1
SCHEMBL5355518 0.80 NR3C1 (0.43) NR3C1NR3C2PGR
SCHEMBL5355509 0.80 NR3C1 (0.43) NR3C1NR3C2PGR
SCHEMBL5363258 0.80 NR3C1 (0.46) NR3C1NR3C2PGR
SCHEMBL5363254 0.80 NR3C1 (0.46) NR3C1NR3C2PGR
SCHEMBL4167063 0.78 NR3C1 (0.33) NR3C1NR3C2PGR
SCHEMBL4161066 0.78 MGAM (0.31) ALDH1A1
SCHEMBL4168320 0.76 NR3C1 (0.49) NR3C1NR3C2PGR
SCHEMBL4150281 0.76 PDE4B (0.38) NR3C1NR3C2PGR
SCHEMBL12505563 0.76 NR3C1 (0.48) NR3C1NR3C2PGRARPARP1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
EP-1869003-B1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LTD (GB) 2013-05-15 EP disclosed
US-8093281-B2 Indazoles as glucocorticoid receptor ligands GLAXO GROUP LIMITED (GB) 2012-01-10 US disclosed
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 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
US-20090176807-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF REGAN JOHN ROBINSON 2009-07-09 US disclosed
WO-2009062950-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-05-22 WO disclosed
US-20080207725-A1 Phenyl-Pyrazole Derivatives as Non-Steroidal Glucocorticoid Receptor Ligands GLAXO GROUP LIMITED, A CORPORATION 2008-08-28 US disclosed
EP-1945642-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 2008-07-23 EP disclosed
EP-1896438-A1 PHENYL-PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2008-03-12 EP disclosed
EP-1869003-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2007-12-26 EP disclosed
WO-2007054294-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 2007-05-18 WO disclosed
WO-2007000334-A1 PHENYL-PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2007-01-04 WO disclosed
WO-2006108699-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2006-10-19 WO 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
US-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-11 US disclosed
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-08-19 US 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 (5 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-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof NR3C1, NR3C2, MC2R NR3C1 1/4885NR3C2 2/4885PGR 95/4885
US-20090176807-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF NR3C1, NR3C2, MC2R NR3C1 1/4885NR3C2 2/4885PGR 71/4885
US-20050234091-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof NR3C1, MC2R, NR3C2 NR3C1 1/4885NR3C2 3/4885PGR 64/4885
US-20080207725-A1 Phenyl-Pyrazole Derivatives as Non-Steroidal Glucocorticoid Receptor Ligands NR3C1, NR3C2, NR5A1 NR3C1 1/4885NR3C2 2/4885PGR 53/4885
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R NR3C1 1/4885NR3C2 2/4885PGR 198/4885

“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.