SCHEMBL5205317

SCHEMBL5205317

CC(C)(CC(O)(CC1CCCC1)C(=O)O)c1cccc2c1OCC2

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 13/20 0.47
PGR P06401 11/20 0.44
NR3C2 P08235 11/20 0.44
AR P10275 1/20 0.41
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
PARP1 P09874 1/20 0.37
PTGES O14684 1/20 0.32

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
SCHEMBL5208154 0.99 NR3C1 (0.46) NR3C1PGRNR3C2ARPTGS1
SCHEMBL5240375 0.83 NR3C1 (0.48) NR3C1PGRNR3C2ARPTGS1
SCHEMBL5208219 0.81 NR3C1 (0.50) NR3C1PGRNR3C2ARPTGS1
SCHEMBL5204425 0.80 NR3C1 (0.48) NR3C1PGRNR3C2ARPARP1
SCHEMBL5208363 0.78 PGR (0.72) NR3C1PGRNR3C2AR
SCHEMBL5208084 0.77 NR3C1 (0.47) NR3C1PGRNR3C2ARPARP1
SCHEMBL5203816 0.75 EED (0.38) NR3C1PGRNR3C2
SCHEMBL5207458 0.74 NR3C1 (0.39) NR3C1PGRNR3C2
SCHEMBL5208204 0.74 HPGD (0.40) NR3C1PGRNR3C2
SCHEMBL5520778 0.74 NR3C1 (0.49) NR3C1PGRNR3C2ARPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467982-B8 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL FORMULATIONS CONTAINING THEM, AND USES THEREOF BOEHRINGER INGELHEIM PHARMA (US) 2007-04-11 EP disclosed
US-7189758-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-13 US disclosed
EP-1467982-B1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL FORMULATIONS CONTAINING THEM, AND USES THEREOF BOEHRINGER INGELHEIM PHARMA (US) 2006-11-22 EP disclosed
US-20060030561-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-09 US disclosed
US-6960581-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-01 US disclosed
EP-1467982-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL FORMULATIONS CONTAINING THEM, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-10-20 EP disclosed
US-20030232823-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-18 US disclosed
WO-2003059899-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL FORMULATIONS CONTAINING THEM AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-07-24 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-20030232823-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof NR3C1, NR3C2, MC2R NR3C1 1/4885PGR 227/4885NR3C2 2/4885
US-20060030561-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof NR3C1, MC2R, NR3C2 NR3C1 1/4885PGR 80/4885NR3C2 3/4885

“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.