SCHEMBL754467

SCHEMBL754467

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.35
BDKRB1 P46663 4/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
PDK2 Q15119 1/20 0.34
NR4A2 P43354 1/20 0.32
NR3C2 P08235 1/20 0.32
PDE10A Q9Y233 2/20 0.32
NPC1 O15118 1/20 0.32
BRD4 O60885 1/20 0.31
RORC P51449 1/20 0.31
MET P08581 1/20 0.31
MRGPRX4 Q96LA9 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
SCHEMBL733615 1.00 KDM4E (0.37) KDM4EPKMBDKRB1SCN5ASCN9A
SCHEMBL733375 0.91 KMT2A (0.35) KDM4EPDK2PDE10A
SCHEMBL753068 0.91 KMT2A (0.35) KDM4EPDK2PDE10A
SCHEMBL734218 0.91 RARB (0.36) SCN5ASCN9ARORC
SCHEMBL753303 0.91 RARB (0.36) SCN5ASCN9ARORC
SCHEMBL752282 0.90 KDM4E (0.36) KDM4EPKMBDKRB1SCN5ASCN9A
SCHEMBL732326 0.90 KDM4E (0.36) KDM4EPKMBDKRB1SCN5ASCN9A
SCHEMBL15789720 0.88 KMT2A (0.34) KDM4EBDKRB1BRD4
SCHEMBL753066 0.86 BAZ2B (0.38) KDM4EPKMBDKRB1NR3C2MRGPRX4
SCHEMBL480897 0.86 BAZ2B (0.38) KDM4EPKMBDKRB1NR3C2MRGPRX4

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 5 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

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 1499/4885PKM 2518/4885BDKRB1 176/4885

“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.