SCHEMBL480150

SCHEMBL480150

COC(=O)c1ccc(Oc2ccc(Cl)c(C(C)C(O)(c3ccc(=O)n(C)c3)C(F)(F)F)c2)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
KCNH2 Q12809 2/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
HRH1 P35367 1/20 0.32
CCR3 P51677 1/20 0.32
CFTR P13569 1/20 0.32
NR3C1 P04150 4/20 0.31
PDK2 Q15119 2/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
BRD4 O60885 1/20 0.31
P2RX3 P56373 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.30

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
SCHEMBL754470 1.00 SCN8A (0.34) SCN8ASCN10AKCNH2HTR2ASLC6A4
SCHEMBL480093 0.94 SCN8A (0.34) SCN8ASCN10AKCNH2HTR2ASLC6A4
SCHEMBL753039 0.94 SCN8A (0.34) SCN8ASCN10AKCNH2HTR2ASLC6A4
SCHEMBL755604 0.93 P2RX3 (0.35) SCN8ASCN10AKCNH2HTR2ASLC6A4
SCHEMBL733354 0.93 P2RX3 (0.35) SCN8ASCN10AKCNH2HTR2ASLC6A4
SCHEMBL480085 0.91 S1PR2 (0.34) SCN8ASCN10AKCNH2HTR2ASLC6A4
SCHEMBL753070 0.91 S1PR2 (0.34) SCN8ASCN10AKCNH2HTR2ASLC6A4
SCHEMBL752343 0.86 MEN1 (0.34) SCN8ASCN10AKCNH2HTR2ASLC6A4
SCHEMBL733020 0.86 MEN1 (0.34) SCN8ASCN10AKCNH2HTR2ASLC6A4
SCHEMBL732524 0.86 P2RX3 (0.34) SCN8ASCN10ANR3C1KMT2ABRD4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411361-B1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-18 EP claimed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US claimed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US claimed
EP-2411361-B1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-18 EP disclosed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US disclosed
EP-2411361-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 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 (1 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 SCN8A 2137/4885SCN10A 1954/4885KCNH2 2332/4885

“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.