SCHEMBL837355

SCHEMBL837355

CC(c1ccc(Cl)cc1Cl)C(O)(c1ccc2nccnc2c1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.38
PDE2A O00408 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HSD11B1 P28845 5/20 0.35
OGA O60502 2/20 0.32
P2RX7 Q99572 2/20 0.32
EEF2K O00418 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 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
SCHEMBL480163 0.89 AR (0.38) ARPDE2AOGAPDK1PDK2
SCHEMBL838037 0.86 MET (0.39) ARPDE2AMEN1KMT2AHTT
SCHEMBL838365 0.86 MET (0.39) ARPDE2AMEN1KMT2AHTT
SCHEMBL837540 0.86 MET (0.39) ARPDE2AMEN1KMT2AHTT
SCHEMBL838309 0.82 MEN1 (0.47) ARPDE2AMEN1KMT2AHTT
SCHEMBL838196 0.82 LMNA (0.37) ARPDE2AMEN1KMT2AHTT
SCHEMBL837442 0.82 NPC1 (0.41) ARPDE2AMEN1KMT2AHTT
SCHEMBL837380 0.81 PDE2A (0.40) ARPDE2AMEN1KMT2AHTT
SCHEMBL753127 0.80 LMNA (0.34) ARMEN1KMT2AHTTLMNA
SCHEMBL479780 0.80 LMNA (0.34) ARMEN1KMT2AHTTLMNA

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 13 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
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 AR 71/4885PDE2A 1196/4885MEN1 1863/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R AR 71/4885PDE2A 1196/4885MEN1 1863/4885

“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.