SCHEMBL839260

SCHEMBL839260

COc1ccc(-n2ncc3cc(C(O)C(C)c4ccc(Cl)cc4Cl)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 9/20 0.44
NPBWR1 P48145 6/20 0.42
MCHR1 Q99705 5/20 0.42
SMO Q99835 1/20 0.42
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
PGR P06401 2/20 0.39
NPC1 O15118 1/20 0.38
S1PR4 O95977 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
S1PR1 P21453 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
PAX8 Q06710 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL838156 0.90 SMO (0.43) NR3C1NPBWR1MCHR1SMOCYP11B1
SCHEMBL838199 0.88 NR3C1 (0.44) NR3C1SMOCYP11B1CYP11B2PGR
SCHEMBL838977 0.83 SMO (0.43) NR3C1SMOCYP11B1CYP11B2NPC1
SCHEMBL838558 0.80 SMO (0.45) NR3C1NPBWR1MCHR1SMOCYP11B1
SCHEMBL839293 0.77 NR3C1 (0.48) NR3C1NPBWR1CYP11B1CYP11B2PGR
SCHEMBL838738 0.70 HPGD (0.48) NR3C1NPBWR1MCHR1SMOCYP11B1
SCHEMBL838181 0.68 NR3C1 (0.47) NR3C1SMOCYP11B1CYP11B2PGR
SCHEMBL837429 0.67 CYP11B1 (0.52) NR3C1NPBWR1SMOCYP11B1CYP11B2
SCHEMBL27765911 0.67 CYP11B1 (0.52) NR3C1NPBWR1MCHR1SMOCYP11B1
SCHEMBL837357 0.67 HPGD (0.48) NR3C1SMOCYP11B1CYP11B2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885NPBWR1 129/4885MCHR1 201/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R NR3C1 1/4885NPBWR1 129/4885MCHR1 201/4885

“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.