SCHEMBL480180

SCHEMBL480180

CC(c1ccc(Br)cc1Cl)C(O)(c1cnc2ccccc2c1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.36
PPARG P37231 5/20 0.35
CNR2 P34972 4/20 0.35
CNR1 P21554 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALPL P05186 2/20 0.34
HSD11B1 P28845 2/20 0.34
AR P10275 1/20 0.33
CYP1A2 P05177 1/20 0.33
PDE2A O00408 1/20 0.32

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
SCHEMBL838307 0.89 CNR1 (0.36) CNR2CNR1MEN1KMT2AALPL
SCHEMBL480147 0.88 CNR2 (0.35) CNR2CNR1MEN1KMT2AAR
SCHEMBL837795 0.88 CNR2 (0.43) CNR2CNR1ARCYP1A2
SCHEMBL480089 0.85 CNR2 (0.43) CNR2CNR1MEN1KMT2AALPL
SCHEMBL1416348 0.82 CNR2 (0.34) CNR2CNR1ARCYP1A2
SCHEMBL480045 0.79 AKR1C3 (0.39) CNR2CNR1
SCHEMBL480118 0.79 TRPM8 (0.41) CNR2CNR1
SCHEMBL754552 0.79 TRPM8 (0.41) CNR2CNR1
SCHEMBL838057 0.79 TDP1 (0.39) PPARGCNR2CNR1KMT2AALPL
SCHEMBL753355 0.79 AKR1C3 (0.39) CNR2CNR1

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
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 BIRC5 4084/4885PPARG 1039/4885CNR2 610/4885

“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.