SCHEMBL732326

SCHEMBL732326

COC(=O)c1ccc(-c2ccc(C(C)C(O)(c3ccc(=O)n(C)c3)C(F)(F)F)c(Cl)c2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
BDKRB1 P46663 5/20 0.35
PDK2 Q15119 1/20 0.35
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
RORC P51449 1/20 0.32
PKM P14618 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
MET P08581 2/20 0.32
ALK Q9UM73 1/20 0.32
CFTR P13569 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
F9 P00740 1/20 0.31
DPP4 P27487 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
NR3C1 P04150 1/20 0.31
NR4A2 P43354 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
SCHEMBL752282 1.00 KDM4E (0.36) KDM4EBDKRB1PDK2BAZ2BBAZ2A
SCHEMBL733268 0.94 PDK2 (0.40) KDM4EBDKRB1PDK2BAZ2BBAZ2A
SCHEMBL754457 0.94 PDK2 (0.40) KDM4EBDKRB1PDK2BAZ2BBAZ2A
SCHEMBL754904 0.90 PDK2 (0.36) KDM4EPDK2BAZ2BBAZ2AMRGPRX4
SCHEMBL734838 0.90 PDK2 (0.36) KDM4EPDK2BAZ2BBAZ2AMRGPRX4
SCHEMBL732428 0.90 DPP4 (0.34) PDK2RORCMETF9DPP4
SCHEMBL755583 0.90 DPP4 (0.34) PDK2RORCMETF9DPP4
SCHEMBL754467 0.90 KDM4E (0.37) KDM4EBDKRB1PDK2RORCPKM
SCHEMBL733615 0.90 KDM4E (0.37) KDM4EBDKRB1PDK2RORCPKM
SCHEMBL15789777 0.88 BRD4 (0.34) KDM4EBDKRB1METALKDPP4

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 claimed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US 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
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 KDM4E 1499/4885BDKRB1 176/4885PDK2 936/4885

“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.