SCHEMBL837416

SCHEMBL837416

COc1cc(C(O)(C(C)c2ccc(F)cc2Cl)C(F)(F)F)cc(Cl)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 5/20 0.35
GPBAR1 Q8TDU6 1/20 0.34
PDE2A O00408 5/20 0.34
PDE10A Q9Y233 4/20 0.34
TRPC5 Q9UL62 1/20 0.33
S1PR2 O95136 1/20 0.33
PDE7A Q13946 1/20 0.33
OXTR P30559 2/20 0.32
AVPR1A P37288 1/20 0.32
PDE6D O43924 1/20 0.32
PDE6A P16499 1/20 0.32
PDE6G P18545 1/20 0.32
PDE6B P35913 1/20 0.32
PDE6C P51160 1/20 0.32
PDE6H Q13956 1/20 0.32
MDM2 Q00987 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 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
SCHEMBL837879 0.84 AR (0.34) NR3C2PDE2AOXTRAVPR1AMDM2
SCHEMBL837576 0.79 NR3C1 (0.40) PDE2AMDM2DPP4DPP7AR
SCHEMBL836784 0.79 PDE2A (0.39) PDE2AMDM2DPP4DPP7AR
SCHEMBL837795 0.75 CNR2 (0.43) NR3C2MDM2AR
SCHEMBL1414552 0.74 DPP4 (0.34) PDE2AOXTRAVPR1ADPP4DPP7
SCHEMBL1414852 0.74 DPP4 (0.34) NR3C2PDE2ATRPC5MDM2DPP4
SCHEMBL838107 0.74 LMNA (0.37) PDE2AAR
SCHEMBL836769 0.74 GAA (0.35) PDE2AAR
SCHEMBL837193 0.74 RECQL (0.39) PDE2AAR
SCHEMBL732586 0.73 MEN1 (0.41) PDE2AOXTRAR

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 14 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 claimed
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 US claimed
US-8143280-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-27 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 NR3C2 2/4885GPBAR1 39/4885PDE2A 1196/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R NR3C2 2/4885GPBAR1 39/4885PDE2A 1196/4885

“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.