SCHEMBL838264

SCHEMBL838264

CC(c1ccccc1)C(O)(c1ccncc1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
GAA P10253 1/20 0.38
KCNA5 P22460 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
USP2 O75604 1/20 0.37
RAB9A P51151 1/20 0.37
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
ROCK1 Q13464 3/20 0.36
AURKB Q96GD4 3/20 0.36
ROCK2 O75116 2/20 0.36
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
PRKX P51817 2/20 0.36
CDC42BPA Q5VT25 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
MAPK1 P28482 2/20 0.36

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
SCHEMBL836718 0.82 PSEN1 (0.38) MEN1KMT2ANR1H2NR1H3MAPK1
SCHEMBL838125 0.82 UGT2B7 (0.45) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL836798 0.81 CYP17A1 (0.42) MEN1KMT2AUSP2RAB9AROCK1
SCHEMBL26294566 0.81 SLC6A3 (0.45) SLC6A2SLC6A4SLC6A3GAAROCK1
SCHEMBL837190 0.80 GAA (0.38) GAAUSP2RAB9ACYP3A4MAPKAPK2
SCHEMBL837802 0.78 PDGFRB (0.43) RAB9APDGFRA
SCHEMBL836759 0.77 CYP3A4 (0.42) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL836914 0.77 PTGS1 (0.36) SLC6A4USP2RAB9ACYP3A4
SCHEMBL13491442 0.72 AR (0.46) MEN1KMT2ANR1H2NR1H3CYP2D6
SCHEMBL12886368 0.72 NR1H2 (0.44) MEN1KMT2ANR1H2NR1H3CYP2D6

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-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 SLC6A2 786/4885SLC6A4 784/4885SLC6A3 1297/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R SLC6A2 786/4885SLC6A4 784/4885SLC6A3 1297/4885

“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.