SCHEMBL732524

SCHEMBL732524

CC(c1cc(Oc2ccc(C(=O)O)c(F)c2)ccc1Cl)C(O)(c1ccc(=O)n(C)c1)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.34
NR3C1 P04150 2/20 0.33
S1PR2 O95136 2/20 0.33
SCN8A Q9UQD0 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
BRD4 O60885 1/20 0.32
MET P08581 1/20 0.32
ALK Q9UM73 1/20 0.32
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
FFAR1 O14842 1/20 0.31
MEN1 O00255 1/20 0.31
TTR P02766 1/20 0.31
PPOX P50336 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HIF1A Q16665 1/20 0.31
F11 P03951 1/20 0.31
KLKB1 P03952 1/20 0.31
THRA P10827 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
SCHEMBL754912 1.00 P2RX3 (0.34) P2RX3NR3C1S1PR2SCN8ASCN10A
SCHEMBL753316 0.93 MRGPRX4 (0.34) P2RX3NR3C1SCN8ASCN10ABRD4
SCHEMBL734137 0.93 MRGPRX4 (0.34) P2RX3NR3C1SCN8ASCN10ABRD4
SCHEMBL753045 0.93 P2RX3 (0.34) P2RX3NR3C1S1PR2SCN8ASCN10A
SCHEMBL733267 0.93 P2RX3 (0.34) P2RX3NR3C1S1PR2SCN8ASCN10A
SCHEMBL753070 0.93 S1PR2 (0.34) NR3C1S1PR2SCN8ASCN10ABRD4
SCHEMBL480085 0.93 S1PR2 (0.34) NR3C1S1PR2SCN8ASCN10ABRD4
SCHEMBL733020 0.92 MEN1 (0.34) NR3C1SCN8ASCN10ABRD4CYP11B1
SCHEMBL752343 0.92 MEN1 (0.34) NR3C1SCN8ASCN10ABRD4CYP11B1
SCHEMBL733289 0.91 SCN8A (0.35) P2RX3NR3C1SCN8ASCN10ABRD4

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 696/4885NR3C1 1/4885S1PR2 548/4885

“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.