SCHEMBL733559

SCHEMBL733559

CC(c1ccc(Oc2ccc(C#N)cc2F)cc1Cl)C(O)(c1ccc(=O)n(C)c1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.38
BRD4 O60885 4/20 0.34
HTR2A P28223 3/20 0.34
KCNH2 Q12809 3/20 0.34
SLC6A4 P31645 2/20 0.34
AR P10275 2/20 0.34
FFAR1 O14842 1/20 0.33
HSD11B1 P28845 1/20 0.33
TBXA2R P21731 2/20 0.31
SCN9A Q15858 2/20 0.31
SLC22A12 Q96S37 1/20 0.31
CYP11B2 P19099 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL480811 0.93 FFAR1 (0.40) CYP11B1BRD4HTR2AKCNH2SLC6A4
SCHEMBL481056 0.89 CYP11B1 (0.36) CYP11B1BRD4HTR2AKCNH2SLC6A4
SCHEMBL732703 0.86 IGFBP3 (0.35) BRD4HTR2AKCNH2SLC6A4FFAR1
SCHEMBL752275 0.86 IGFBP3 (0.35) BRD4HTR2AKCNH2SLC6A4FFAR1
SCHEMBL474548 0.85 AR (0.35) CYP11B1BRD4HTR2AKCNH2SLC6A4
SCHEMBL480874 0.83 MET (0.33) BRD4HTR2AKCNH2SLC6A4
SCHEMBL734622 0.83 AR (0.37) BRD4HTR2AKCNH2SLC6A4AR
SCHEMBL480386 0.83 AR (0.37) BRD4HTR2AKCNH2SLC6A4AR
SCHEMBL480467 0.83 AR (0.37) BRD4HTR2AKCNH2SLC6A4AR
SCHEMBL480110 0.82 SLC22A12 (0.37) CYP11B1HTR2AKCNH2SLC6A4AR

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 12 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
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US claimed
US-8883786-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2014-11-11 US disclosed
EP-2411361-B1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-18 EP 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
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US disclosed
EP-2205562-B1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-03-16 EP disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US 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 (3 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-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, CRHR1 CYP11B1 8/4885BRD4 3300/4885HTR2A 101/4885
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R CYP11B1 25/4885BRD4 3049/4885HTR2A 176/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R CYP11B1 25/4885BRD4 3049/4885HTR2A 176/4885

“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.