SCHEMBL754534

SCHEMBL754534

C[C@@H](c1cc(F)c(Oc2ccc(C(=O)O)c(F)c2)cc1Cl)[C@](O)(c1ccc(=O)n(C)c1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 4/20 0.35
SCN10A Q9Y5Y9 4/20 0.35
SCN9A Q15858 6/20 0.34
FFAR1 O14842 2/20 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
BRD4 O60885 1/20 0.32
P2RX3 P56373 1/20 0.32
CYP2C9 P11712 1/20 0.31
KCNH2 Q12809 1/20 0.31
CACNA1C Q13936 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
MET P08581 1/20 0.31
ALK Q9UM73 1/20 0.31
NR3C1 P04150 1/20 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
SCHEMBL733289 1.00 SCN8A (0.35) SCN8ASCN10ASCN9AFFAR1MEN1
SCHEMBL752370 0.92 SCN8A (0.36) SCN8ASCN10ASCN9ABRD4P2RX3
SCHEMBL480156 0.92 SCN8A (0.36) SCN8ASCN10ASCN9ABRD4P2RX3
SCHEMBL753045 0.91 P2RX3 (0.34) SCN8ASCN10ASCN9AFFAR1MEN1
SCHEMBL732524 0.91 P2RX3 (0.34) SCN8ASCN10AFFAR1MEN1TTR
SCHEMBL733267 0.91 P2RX3 (0.34) SCN8ASCN10ASCN9AFFAR1MEN1
SCHEMBL754912 0.91 P2RX3 (0.34) SCN8ASCN10AFFAR1MEN1TTR
SCHEMBL733103 0.90 SCN8A (0.35) SCN8ASCN10ASCN9AFFAR1MEN1
SCHEMBL755659 0.90 SCN8A (0.35) SCN8ASCN10ASCN9AFFAR1MEN1
SCHEMBL734909 0.85 S1PR2 (0.34) SCN8ASCN10AFFAR1MEN1TTR

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 disclosed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US 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
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 1954/4885SCN9A 2134/4885

“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.