SCHEMBL479539

SCHEMBL479539

CCOC(=O)Cc1ccc(CNC(=O)c2ccc(C(C)C(O)(c3ccnc(Cl)c3)C(F)(F)F)c(Cl)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
EPHX2 P34913 4/20 0.40
PPARG P37231 1/20 0.40
ALDH1A1 P00352 9/20 0.39
HPGD P15428 9/20 0.39
CYP2C19 P33261 6/20 0.39
CYP2C9 P11712 6/20 0.39
CYP1A2 P05177 5/20 0.39
CYP2D6 P10635 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 7/20 0.38
CYP3A4 P08684 3/20 0.38
GAA P10253 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
RECQL P46063 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM1A O60341 1/20 0.37
HDAC1 Q13547 1/20 0.37
MAPT P10636 2/20 0.36

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
SCHEMBL753180 1.00 LMNA (0.41) LMNAEPHX2PPARGALDH1A1HPGD
SCHEMBL479894 0.90 NR1H4 (0.44) LMNAEPHX2ALDH1A1HPGDCYP2C19
SCHEMBL752950 0.90 NR1H4 (0.44) LMNAEPHX2ALDH1A1HPGDCYP2C19
SCHEMBL479656 0.89 EPHX2 (0.49) EPHX2NR1H4KDM1AHDAC1
SCHEMBL754329 0.89 EPHX2 (0.49) EPHX2NR1H4KDM1AHDAC1
SCHEMBL479857 0.89 RORC (0.44) EPHX2ALDH1A1HPGDCYP2C19CYP2C9
SCHEMBL752158 0.89 RORC (0.44) EPHX2ALDH1A1HPGDCYP2C19CYP2C9
SCHEMBL479651 0.84 SMN1; SMN2 (0.46) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL752162 0.84 SMN1; SMN2 (0.46) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL752511 0.82 SCN9A (0.38) LMNAHPGDSMN1; SMN2MAPT

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 9 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
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 LMNA 1995/4885EPHX2 1434/4885PPARG 1039/4885

“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.