SCHEMBL480486

SCHEMBL480486

COC(=O)c1ccc(Oc2ccc(C(C)C(O)(c3ccc(=O)n(C)c3)C(F)(F)F)c(Cl)c2Cl)cc1F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 5/20 0.36
SCN10A Q9Y5Y9 5/20 0.36
KDM4E B2RXH2 1/20 0.34
KCNH2 Q12809 2/20 0.34
FFAR1 O14842 1/20 0.34
CYP2C9 P11712 1/20 0.34
CACNA1C Q13936 1/20 0.34
P2RX3 P56373 1/20 0.33
SCN9A Q15858 4/20 0.33
EPAS1 Q99814 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
MET P08581 1/20 0.32
ALK Q9UM73 1/20 0.32
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
BRD4 O60885 2/20 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
SCHEMBL754964 1.00 SCN8A (0.36) SCN8ASCN10AKDM4EKCNH2FFAR1
SCHEMBL733103 0.92 SCN8A (0.35) SCN8ASCN10AKCNH2FFAR1CYP2C9
SCHEMBL755659 0.92 SCN8A (0.35) SCN8ASCN10AKCNH2FFAR1CYP2C9
SCHEMBL480156 0.90 SCN8A (0.36) SCN8ASCN10AKDM4EKCNH2P2RX3
SCHEMBL752370 0.90 SCN8A (0.36) SCN8ASCN10AKDM4EKCNH2P2RX3
SCHEMBL755604 0.88 P2RX3 (0.35) SCN8ASCN10AKDM4EKCNH2P2RX3
SCHEMBL733354 0.88 P2RX3 (0.35) SCN8ASCN10AKDM4EKCNH2P2RX3
SCHEMBL480403 0.88 LMNA (0.36) SCN8ASCN10AKDM4EMETALK
SCHEMBL753341 0.88 LMNA (0.36) SCN8ASCN10AKDM4EMETALK
SCHEMBL753039 0.84 SCN8A (0.34) SCN8ASCN10AKDM4EKCNH2P2RX3

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 1954/4885KDM4E 1499/4885

“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.