SCHEMBL838208

SCHEMBL838208

CC(c1c(F)cccc1Cl)C(O)(c1ccncc1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 3/20 0.34
USP2 O75604 1/20 0.34
CYP19A1 P11511 1/20 0.34
AR P10275 2/20 0.34
HPGD P15428 1/20 0.34
HSD11B1 P28845 2/20 0.33
P2RX7 Q99572 1/20 0.33
RORC P51449 3/20 0.32
RIPK1 Q13546 1/20 0.32
GCKR Q14397 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
SCHEMBL837660 0.76 PDE2A (0.46) TYK2JAK2JAK1ALDH1A1GAA
SCHEMBL836759 0.72 CYP3A4 (0.42) TYK2JAK2JAK1ALDH1A1SMN1; SMN2
SCHEMBL838264 0.72 SLC6A2 (0.41) GAARAB9AUSP2CYP19A1
SCHEMBL838309 0.71 MEN1 (0.47) TYK2JAK2JAK1ALDH1A1CYP19A1
SCHEMBL24069195 0.71 GAA (0.39) ALDH1A1GAASMN1; SMN2RAB9AHPGD
SCHEMBL837671 0.70 ESR1 (0.41) TYK2JAK2JAK1RAB9AUSP2
SCHEMBL837778 0.69 RAB9A (0.42) GAASMN1; SMN2RAB9AUSP2
SCHEMBL837190 0.69 GAA (0.38) TYK2GAARAB9AUSP2HSD11B1
SCHEMBL838605 0.68 CYP19A1 (0.41) ALDH1A1CYP19A1RORC
SCHEMBL838142 0.68 TYK2 (0.41) TYK2JAK2CYP19A1ARHSD11B1

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 TYK2 3712/4885JAK2 1044/4885JAK1 2160/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R TYK2 3712/4885JAK2 1044/4885JAK1 2160/4885

“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.