SCHEMBL479737

SCHEMBL479737

CC(c1ccc(OCc2cccc(CC(=O)O)c2)cc1Cl)C(O)(c1cnc2ccccc2c1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.44
CYSLTR1 Q9Y271 1/20 0.39
FFAR1 O14842 2/20 0.39
ALOX5 P09917 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CYP4F2 P78329 3/20 0.37
CYP4A11 Q02928 3/20 0.37
PPARG P37231 2/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 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
SCHEMBL753037 1.00 MAOB (0.44) MAOBCYSLTR1FFAR1ALOX5MRGPRX4
SCHEMBL754449 0.94 SMN1; SMN2 (0.42) MAOBCYSLTR1FFAR1ALOX5SMN1; SMN2
SCHEMBL479859 0.94 SMN1; SMN2 (0.42) MAOBCYSLTR1FFAR1ALOX5SMN1; SMN2
SCHEMBL480148 0.92 MAOB (0.43) MAOBALOX5
SCHEMBL480026 0.88 MAOB (0.42) MAOBCYSLTR1FFAR1MRGPRX4
SCHEMBL753262 0.88 MAOB (0.42) MAOBCYSLTR1FFAR1MRGPRX4
SCHEMBL752268 0.86 LMNA (0.45) MAOBFFAR1ALOX5
SCHEMBL480022 0.86 LMNA (0.45) MAOBFFAR1ALOX5
Bicarbonate SCHEMBL15789708 0.84 ALOX5 (0.38) MAOBCYSLTR1FFAR1ALOX5MRGPRX4
SCHEMBL479745 0.83 MAOB (0.51) MAOBSMN1; SMN2

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 MAOB 881/4885CYSLTR1 689/4885FFAR1 45/4885

“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.