SCHEMBL837335

SCHEMBL837335

CC(c1ccc(Cl)cc1Cl)C(O)(c1cn2ccccc2n1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 4/20 0.33
PKM P14618 2/20 0.33
SSTR4 P31391 1/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KMT2A Q03164 3/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 2/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.32
PDE2A O00408 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
SCHEMBL836855 0.78 TP53 (0.39) NPC1RAB9AMAPTKDM4ELMNA
SCHEMBL837231 0.76 MAPT (0.41) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL837336 0.75 NPC1 (0.38) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL837554 0.75 NPSR1 (0.38) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL837937 0.74 LMNA (0.36) LMNAHTTTP53KMT2AMEN1
SCHEMBL838401 0.73 JAK2 (0.38) NPC1RAB9ASMN1; SMN2KDM4ESSTR4
SCHEMBL837640 0.73 HTT (0.37) MAPTLMNAHTTTP53ALDH1A1
SCHEMBL837894 0.72 HTT (0.36) MAPTLMNAHTTTP53ALDH1A1
SCHEMBL837781 0.72 HTT (0.36) MAPTLMNAHTTTP53ALDH1A1
SCHEMBL838084 0.72 HTT (0.36) MAPTLMNAHTTTP53ALDH1A1

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 NPC1 857/4885RAB9A 2137/4885SMN1; SMN2 4680/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R NPC1 857/4885RAB9A 2137/4885SMN1; SMN2 4680/4885

“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.