SCHEMBL480018

SCHEMBL480018

Cc1cc(C(O)(C(C)c2ccc(-c3ccc(C#N)nc3)cc2Cl)C(F)(F)F)ccn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.38
TNF P01375 2/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
DGAT1 O75907 1/20 0.34
CYP11B2 P19099 2/20 0.33
AAK1 Q2M2I8 2/20 0.32
VHL P40337 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
CYP11B1 P15538 1/20 0.31
CTSA P10619 1/20 0.31
HSD11B1 P28845 3/20 0.31
CYP2D6 P10635 2/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 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
SCHEMBL479975 0.83 KMO (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15789710 0.81 DGAT1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL480082 0.81 MMP3 (0.38) ARPSEN1PSEN2APH1BNCSTN
SCHEMBL479930 0.81 GPBAR1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL838196 0.79 LMNA (0.37) ARHSD11B1
SCHEMBL480120 0.79 AR (0.38) ARPSEN1PSEN2APH1BNCSTN
SCHEMBL15789691 0.79 PORCN (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL480073 0.79 AR (0.38) ARCYP11B2CYP11B1
SCHEMBL480067 0.78 ESR1 (0.36) AR
SCHEMBL479984 0.78 DYRK1A (0.36) ARPSEN1PSEN2APH1BNCSTN

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 AR 187/4885TNF 1045/4885PSEN1 1396/4885

“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.