SCHEMBL753303

SCHEMBL753303

CCn1cc([C@@](O)([C@@H](C)c2ccc(-c3ccc(C(=O)O)c(F)c3)cc2Cl)C(F)(F)F)ccc1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.36
RARA P10276 2/20 0.36
RARG P13631 1/20 0.36
ICMT O60725 2/20 0.33
S1PR2 O95136 1/20 0.33
RORC P51449 1/20 0.33
HTT P42858 1/20 0.32
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
PDE4B Q07343 1/20 0.32
PPARG P37231 1/20 0.32
FFAR1 O14842 1/20 0.32
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31
KCNH2 Q12809 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
SCHEMBL734218 1.00 RARB (0.36) RARBRARARARGICMTS1PR2
SCHEMBL734560 0.93 PDE4B (0.36) ICMTS1PR2DPP4DPP7PTGDR2
SCHEMBL753067 0.93 PDE4B (0.36) ICMTS1PR2DPP4DPP7PTGDR2
SCHEMBL733615 0.91 KDM4E (0.37) RORCSCN5ASCN9A
SCHEMBL754467 0.91 KDM4E (0.37) RORCSCN5ASCN9A
SCHEMBL732428 0.89 DPP4 (0.34) RARBRARARARGRORCDPP4
SCHEMBL755583 0.89 DPP4 (0.34) RARBRARARARGRORCDPP4
SCHEMBL754911 0.89 ESR1 (0.35) RORCPPARGAKR1C2
SCHEMBL734058 0.89 ESR1 (0.35) RORCPPARGAKR1C2
SCHEMBL15789766 0.88 FFAR4 (0.32) ICMTDPP4DPP7PTGDR2FFAR1

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 RARB 1617/4885RARA 868/4885RARG 1729/4885

“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.