SCHEMBL732088

SCHEMBL732088

CC(c1ccc(-c2ccc(CC#N)cc2)cc1Cl)C(O)(c1ccc(=O)n(C)c1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.35
HSD11B1 P28845 3/20 0.33
DPP4 P27487 2/20 0.32
DPP7 Q9UHL4 2/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
PDE2A O00408 1/20 0.30

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
SCHEMBL753293 0.86 RXRA (0.41) DPP4DPP7RXRARXRBRXRG
SCHEMBL732702 0.86 RXRA (0.41) DPP4DPP7RXRARXRBRXRG
SCHEMBL474564 0.85 AR (0.36) ARHSD11B1RXRARXRBRXRG
SCHEMBL480779 0.84 AR (0.41) ARHSD11B1
SCHEMBL479974 0.83 AR (0.35) ARHSD11B1RXRARXRBRXRG
SCHEMBL734223 0.81 PDK2 (0.36) ARDPP4DPP7RXRARXRB
SCHEMBL755587 0.81 PDK2 (0.36) ARDPP4DPP7RXRARXRB
SCHEMBL732428 0.81 DPP4 (0.34) DPP4DPP7RXRARXRBPDE2A
SCHEMBL755583 0.81 DPP4 (0.34) DPP4DPP7RXRARXRBPDE2A
SCHEMBL753053 0.80 GRIK1 (0.35) DPP4DPP7PDE2A

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 3 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-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 AR 187/4885HSD11B1 11/4885DPP4 727/4885

“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.