SCHEMBL838579

SCHEMBL838579

COCCOc1cc(C(O)(C(C)c2ccc(Cl)cc2Cl)C(F)(F)F)ccn1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
AR P10275 1/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
S1PR4 O95977 2/20 0.31
CCR5 P51681 1/20 0.31
FGFR1 P11362 1/20 0.31
FLT1 P17948 1/20 0.31
KDR P35968 1/20 0.31
PDE2A O00408 1/20 0.31
HTR1A P08908 1/20 0.31
DDR1 Q08345 1/20 0.31
AKT3 Q9Y243 1/20 0.30

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
SCHEMBL837994 0.91 AR (0.32) MEN1KMT2AARLMNATP53
SCHEMBL836769 0.88 GAA (0.35) MEN1KMT2AARLMNATP53
SCHEMBL838577 0.85 KMT2A (0.35) MEN1KMT2ALMNACCR5
SCHEMBL837494 0.85 TDP1 (0.40) MEN1KMT2AHTT
SCHEMBL838933 0.85 AR (0.38) MEN1KMT2AARLMNATP53
SCHEMBL838546 0.84 IDO1 (0.38) ACACBKMT2ALMNANPC1
SCHEMBL838233 0.84 MC4R (0.35) MEN1KMT2ALMNATP53HTT
SCHEMBL838448 0.81 MAOA (0.33) ARKDRPDE2A
SCHEMBL838196 0.80 LMNA (0.37) MEN1KMT2AARLMNATP53
SCHEMBL837879 0.79 AR (0.34) ARPDE2A

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 ACACB 1602/4885MEN1 1863/4885KMT2A 2149/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R ACACB 1602/4885MEN1 1863/4885KMT2A 2149/4885

“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.