SCHEMBL838181

SCHEMBL838181

COc1cccc(-n2ncc3cc(C(O)(C(C)c4ccc(Cl)cc4Cl)C(F)(F)F)ccc32)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 16/20 0.47
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
SMO Q99835 1/20 0.41
PGR P06401 1/20 0.41

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
SCHEMBL839293 0.91 NR3C1 (0.48) NR3C1CYP11B1CYP11B2PGR
SCHEMBL838520 0.90 NR3C1 (0.48) NR3C1CYP11B1CYP11B2PGR
SCHEMBL837940 0.89 NR3C1 (0.51) NR3C1CYP11B1CYP11B2
SCHEMBL838615 0.85 NR3C1 (0.43) NR3C1CYP11B1CYP11B2SMO
SCHEMBL837594 0.85 NR3C1 (0.51) NR3C1CYP11B1CYP11B2
SCHEMBL837360 0.82 NR3C1 (0.43) NR3C1CYP11B1CYP11B2
SCHEMBL838156 0.78 SMO (0.43) NR3C1CYP11B1CYP11B2SMOPGR
SCHEMBL838738 0.77 HPGD (0.48) NR3C1CYP11B1CYP11B2SMOPGR
SCHEMBL4272689 0.73 NR3C1 (0.63) NR3C1CYP11B1CYP11B2PGR
SCHEMBL837193 0.71 RECQL (0.39) NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 US claimed
EP-2205562-B1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-03-16 EP claimed
EP-2205562-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-07-14 EP claimed
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US claimed
WO-2009040288-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 WO claimed
US-8883786-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2014-11-11 US disclosed
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 US disclosed
US-8143280-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-27 US disclosed
EP-2205562-B1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-03-16 EP disclosed
EP-2205562-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US disclosed
WO-2009040288-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 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-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R NR3C1 1/4885CYP11B1 25/4885CYP11B2 28/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R NR3C1 1/4885CYP11B1 25/4885CYP11B2 28/4885

“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.