SCHEMBL734909

SCHEMBL734909

CC(c1ccc(Oc2ccc(C(=O)O)c(Cl)c2)cc1Cl)C(O)(c1ccc(=O)n(C)c1)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
MEN1 O00255 1/20 0.32
TTR P02766 1/20 0.32
PPOX P50336 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
BAZ2B Q9UIF8 1/20 0.32
BAZ2A Q9UIF9 1/20 0.32
PTGER4 P35408 1/20 0.32
FFAR1 O14842 1/20 0.31
NR3C1 P04150 2/20 0.31
KCNH2 Q12809 2/20 0.31
PDE2A O00408 1/20 0.31
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
AKR1C2 P52895 1/20 0.30
AKR1C1 Q04828 1/20 0.30
THRA P10827 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
SCHEMBL754450 1.00 S1PR2 (0.34) S1PR2SCN8ASCN10AMEN1TTR
SCHEMBL753045 0.94 P2RX3 (0.34) S1PR2SCN8ASCN10AMEN1TTR
SCHEMBL480763 0.94 KCNH2 (0.35) S1PR2SCN8ASCN10AMEN1TTR
SCHEMBL733267 0.94 P2RX3 (0.34) S1PR2SCN8ASCN10AMEN1TTR
SCHEMBL754543 0.94 KCNH2 (0.35) S1PR2SCN8ASCN10AMEN1TTR
SCHEMBL753070 0.94 S1PR2 (0.34) S1PR2SCN8ASCN10AMEN1TTR
SCHEMBL480085 0.94 S1PR2 (0.34) S1PR2SCN8ASCN10AMEN1TTR
SCHEMBL734434 0.92 PTGER4 (0.38) PTGER4FFAR1THRATHRB
SCHEMBL753038 0.92 PTGER4 (0.38) PTGER4FFAR1THRATHRB
SCHEMBL753039 0.91 SCN8A (0.34) SCN8ASCN10AKMT2ABAZ2BBAZ2A

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 S1PR2 548/4885SCN8A 2137/4885SCN10A 1954/4885

“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.