SCHEMBL755595

SCHEMBL755595

COC(=O)c1ccc(-c2ccc([C@H](C)[C@](O)(c3ccc(OC)nc3)C(F)(F)F)c(Cl)c2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.37
SCN5A Q14524 1/20 0.37
NR3C1 P04150 2/20 0.36
BDKRB1 P46663 3/20 0.35
PDK2 Q15119 1/20 0.35
LMNA P02545 1/20 0.34
MET P08581 3/20 0.34
ERN1 O75460 1/20 0.34
KDR P35968 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
PABPC1 P11940 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL479973 1.00 SCN9A (0.37) SCN9ASCN5ANR3C1BDKRB1PDK2
SCHEMBL479723 0.94 PDK2 (0.40) NR3C1PDK2LMNAKDRPRKAG1
SCHEMBL752294 0.94 PDK2 (0.40) NR3C1PDK2LMNAKDRPRKAG1
SCHEMBL27830963 0.92 PRKAG1 (0.39) SCN9ASCN5ANR3C1ERN1PRKAG1
SCHEMBL480536 0.89 BDKRB1 (0.37) SCN9ANR3C1BDKRB1PDK2KDR
SCHEMBL480821 0.88 BDKRB1 (0.43) NR3C1BDKRB1PDK2LMNAPRKAG1
SCHEMBL15789889 0.88 NR3C1 (0.37) SCN9ANR3C1LMNAERN1KDR
SCHEMBL479969 0.84 MET (0.36) SCN9ASCN5ABDKRB1PDK2MET
SCHEMBL752208 0.84 MET (0.36) SCN9ASCN5ABDKRB1PDK2MET
SCHEMBL15789940 0.84 NR3C1 (0.40) NR3C1LMNAKDRPRKAG1PRKAA1

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 SCN9A 2134/4885SCN5A 820/4885NR3C1 1/4885

“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.