SCHEMBL753287

SCHEMBL753287

C[C@H](c1ccc(Oc2ccc(C(=O)O)cc2Cl)cc1Cl)[C@@](O)(c1ccc(=O)n(C)c1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.36
TTR P02766 2/20 0.36
MEN1 O00255 1/20 0.36
PPOX P50336 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
PTGER4 P35408 1/20 0.35
ESRRA P11474 1/20 0.35
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
F11 P03951 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33

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
SCHEMBL480742 1.00 FFAR1 (0.36) FFAR1TTRMEN1PPOXKMT2A
SCHEMBL752275 0.93 IGFBP3 (0.35) FFAR1PTGER4HTR2ASLC6A4KCNH2
SCHEMBL732703 0.93 IGFBP3 (0.35) FFAR1PTGER4HTR2ASLC6A4KCNH2
SCHEMBL753038 0.92 PTGER4 (0.38) FFAR1PTGER4THRATHRBF11
SCHEMBL734434 0.92 PTGER4 (0.38) FFAR1PTGER4THRATHRBF11
SCHEMBL733736 0.89 MRGPRX4 (0.35) FFAR1TTRMEN1PPOXKMT2A
SCHEMBL733612 0.89 MRGPRX4 (0.35) FFAR1TTRMEN1PPOXKMT2A
SCHEMBL480761 0.89 MRGPRX4 (0.35) FFAR1TTRMEN1PPOXKMT2A
SCHEMBL734303 0.87 PTGER4 (0.34) FFAR1PTGER4F11
SCHEMBL754530 0.87 PTGER4 (0.34) FFAR1PTGER4F11

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 5 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

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 FFAR1 45/4885TTR 731/4885MEN1 1173/4885

“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.