SCHEMBL733103

SCHEMBL733103

CC(c1ccc(Oc2ccc(C(=O)O)c(F)c2)c(Cl)c1Cl)C(O)(c1ccc(=O)n(C)c1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 3/20 0.35
SCN10A Q9Y5Y9 3/20 0.35
FFAR1 O14842 3/20 0.34
CYP2C9 P11712 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1C Q13936 1/20 0.34
MEN1 O00255 1/20 0.34
TTR P02766 1/20 0.34
PPOX P50336 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SCN9A Q15858 4/20 0.32
P2RX3 P56373 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
MET P08581 1/20 0.31
ALK Q9UM73 1/20 0.31
CYP11B1 P15538 2/20 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
SCHEMBL755659 1.00 SCN8A (0.35) SCN8ASCN10AFFAR1CYP2C9KCNH2
SCHEMBL754964 0.92 SCN8A (0.36) SCN8ASCN10AFFAR1CYP2C9KCNH2
SCHEMBL480486 0.92 SCN8A (0.36) SCN8ASCN10AFFAR1CYP2C9KCNH2
SCHEMBL733289 0.90 SCN8A (0.35) SCN8ASCN10AFFAR1CYP2C9KCNH2
SCHEMBL754534 0.90 SCN8A (0.35) SCN8ASCN10AFFAR1CYP2C9KCNH2
SCHEMBL753045 0.90 P2RX3 (0.34) SCN8ASCN10AFFAR1CYP2C9KCNH2
SCHEMBL733267 0.90 P2RX3 (0.34) SCN8ASCN10AFFAR1CYP2C9KCNH2
SCHEMBL754912 0.88 P2RX3 (0.34) SCN8ASCN10AFFAR1MEN1TTR
SCHEMBL732524 0.88 P2RX3 (0.34) SCN8ASCN10AFFAR1MEN1TTR
SCHEMBL734303 0.88 PTGER4 (0.34) SCN8ASCN10AFFAR1

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 6 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
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US 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 1954/4885FFAR1 45/4885

“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.