SCHEMBL836934

SCHEMBL836934

COC(=O)CC(c1ccc(Cl)cc1Cl)C(O)(c1cncc(C)n1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.35
EEF2K O00418 2/20 0.35
ROCK2 O75116 1/20 0.34
S1PR4 O95977 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSA P10619 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
MDM2 Q00987 1/20 0.33

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
SCHEMBL837392 0.89 EEF2K (0.40) EEF2KROCK2MEN1KMT2ACTSA
SCHEMBL837722 0.80 MRGPRX4 (0.35) MRGPRX4MEN1KMT2ALMNACRHBP
SCHEMBL836991 0.80 MAPT (0.38) MEN1KMT2AMAPTSMN1; SMN2PDK1
SCHEMBL837781 0.79 HTT (0.36) ROCK2MEN1KMT2AMAPTALDH1A1
SCHEMBL838084 0.79 HTT (0.36) ROCK2MEN1KMT2AMAPTALDH1A1
SCHEMBL837894 0.79 HTT (0.36) ROCK2MEN1KMT2AMAPTALDH1A1
SCHEMBL837176 0.71 PDK1 (0.40) S1PR4MEN1KMT2AMAPTALDH1A1
SCHEMBL837146 0.70 CYP11B1 (0.33) MDM2
SCHEMBL837640 0.69 HTT (0.37) EEF2KROCK2MEN1KMT2AMAPT
SCHEMBL837288 0.67 PDK1 (0.36) MEN1KMT2AMAPTALDH1A1PDK1

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 MRGPRX4 203/4885EEF2K 1513/4885ROCK2 1232/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R MRGPRX4 203/4885EEF2K 1513/4885ROCK2 1232/4885

“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.