SCHEMBL733354

SCHEMBL733354

COC(=O)c1ccc(Oc2ccc(Cl)c(C(C)C(O)(c3ccc(=O)n(C)c3)C(F)(F)F)c2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NR3C1 P04150 5/20 0.33
SCN8A Q9UQD0 2/20 0.33
SCN10A Q9Y5Y9 2/20 0.33
BRD4 O60885 1/20 0.33
MET P08581 1/20 0.33
ALK Q9UM73 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.31
SCN9A Q15858 1/20 0.31
CFTR P13569 1/20 0.31
MAPK14 Q16539 1/20 0.31
CYP11B1 P15538 2/20 0.30
CYP11B2 P19099 2/20 0.30
HTR2A P28223 1/20 0.30
SLC6A4 P31645 1/20 0.30
KCNH2 Q12809 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
SCHEMBL755604 1.00 P2RX3 (0.35) P2RX3KDM4ENR3C1SCN8ASCN10A
SCHEMBL480150 0.93 SCN8A (0.34) P2RX3KDM4ENR3C1SCN8ASCN10A
SCHEMBL754470 0.93 SCN8A (0.34) P2RX3KDM4ENR3C1SCN8ASCN10A
SCHEMBL480156 0.92 SCN8A (0.36) P2RX3KDM4ENR3C1SCN8ASCN10A
SCHEMBL752370 0.92 SCN8A (0.36) P2RX3KDM4ENR3C1SCN8ASCN10A
SCHEMBL732524 0.91 P2RX3 (0.34) P2RX3NR3C1SCN8ASCN10ABRD4
SCHEMBL754912 0.91 P2RX3 (0.34) P2RX3NR3C1SCN8ASCN10ABRD4
SCHEMBL754964 0.88 SCN8A (0.36) P2RX3KDM4ESCN8ASCN10ABRD4
SCHEMBL480486 0.88 SCN8A (0.36) P2RX3KDM4ESCN8ASCN10ABRD4
SCHEMBL753039 0.87 SCN8A (0.34) P2RX3KDM4ENR3C1SCN8ASCN10A

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 P2RX3 696/4885KDM4E 1499/4885NR3C1 1/4885

“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.