SCHEMBL838037

SCHEMBL838037

CC(c1ccc(Cl)cc1Cl)C(O)(c1ccc2ncccc2c1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.39
SRC P12931 2/20 0.39
KDR P35968 2/20 0.39
KIT P10721 1/20 0.39
FGFR2 P21802 1/20 0.39
AXL P30530 1/20 0.39
FLT3 P36888 1/20 0.39
MST1R Q04912 1/20 0.39
KMT2A Q03164 3/20 0.39
HSP90AA1 P07900 2/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 2/20 0.39
HTT P42858 1/20 0.39
NR4A2 P43354 1/20 0.38
DOT1L Q8TEK3 2/20 0.36
MDM2 Q00987 1/20 0.36
P2RX7 Q99572 2/20 0.36
AR P10275 1/20 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
SCHEMBL837540 1.00 MET (0.39) METSRCKDRKITFGFR2
SCHEMBL838365 1.00 MET (0.39) METSRCKDRKITFGFR2
SCHEMBL836906 0.90 MET (0.39) METSRCKDRKITFGFR2
SCHEMBL837355 0.86 AR (0.38) KMT2AMEN1HTTP2RX7AR
SCHEMBL838307 0.86 CNR1 (0.36) KMT2AHSP90AA1MEN1POLBHTT
SCHEMBL1414601 0.79 KMT2A (0.46) KMT2AHSP90AA1MEN1POLBRAB9A
SCHEMBL1414861 0.79 KMT2A (0.46) KMT2AHSP90AA1MEN1POLBRAB9A
SCHEMBL1414549 0.79 KMT2A (0.46) KMT2AHSP90AA1MEN1POLBRAB9A
SCHEMBL838309 0.79 MEN1 (0.47) KMT2AMEN1HTTARHSD11B1
SCHEMBL838196 0.78 LMNA (0.37) KMT2AHSP90AA1MEN1POLBNPC1

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 MET 917/4885SRC 1710/4885KDR 638/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R MET 917/4885SRC 1710/4885KDR 638/4885

“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.