SCHEMBL479859

SCHEMBL479859

CC(c1ccc(OCc2ccc(CC(=O)O)cc2)cc1Cl)C(O)(c1cnc2ccccc2c1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
PPARD Q03181 5/20 0.40
NR1H4 Q96RI1 4/20 0.40
MAOB P27338 4/20 0.40
FFAR1 O14842 1/20 0.40
CYSLTR1 Q9Y271 2/20 0.39
NR1H2 P55055 4/20 0.38
NR1H3 Q13133 4/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
ALOX5 P09917 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL754449 1.00 SMN1; SMN2 (0.42) SMN1; SMN2PPARDNR1H4MAOBFFAR1
SCHEMBL479737 0.94 MAOB (0.44) SMN1; SMN2PPARDMAOBFFAR1CYSLTR1
SCHEMBL753037 0.94 MAOB (0.44) SMN1; SMN2PPARDMAOBFFAR1CYSLTR1
SCHEMBL480026 0.93 MAOB (0.42) NR1H4MAOBFFAR1CYSLTR1
SCHEMBL753262 0.93 MAOB (0.42) NR1H4MAOBFFAR1CYSLTR1
SCHEMBL480022 0.92 LMNA (0.45) MAOBFFAR1NR1H2NR1H3ALOX5
SCHEMBL752268 0.92 LMNA (0.45) MAOBFFAR1NR1H2NR1H3ALOX5
Bicarbonate SCHEMBL15789708 0.88 ALOX5 (0.38) MAOBFFAR1CYSLTR1ALOX5
SCHEMBL479745 0.88 MAOB (0.51) SMN1; SMN2MAOB
SCHEMBL753250 0.88 MAOB (0.51) SMN1; SMN2MAOB

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 10 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
EP-2411361-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP claimed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US claimed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO 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
EP-2411361-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP 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 SMN1; SMN2 4229/4885PPARD 813/4885NR1H4 195/4885

“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.