SCHEMBL734223

SCHEMBL734223

CC(c1ccc(-c2ccc(C(=O)O)c(Cl)c2)cc1Cl)C(O)(c1ccc(=O)n(C)c1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.36
DPP4 P27487 6/20 0.36
DPP7 Q9UHL4 6/20 0.36
BAZ2B Q9UIF8 1/20 0.34
BAZ2A Q9UIF9 1/20 0.34
AKR1C2 P52895 2/20 0.33
AKR1C1 Q04828 2/20 0.33
RORC P51449 1/20 0.33
XDH P47989 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
PDE2A O00408 1/20 0.32
F9 P00740 1/20 0.32
MYC P01106 1/20 0.31
NR4A1 P22736 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AR P10275 1/20 0.31
NR1H4 Q96RI1 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
SCHEMBL755587 1.00 PDK2 (0.36) PDK2DPP4DPP7BAZ2BBAZ2A
SCHEMBL755583 0.93 DPP4 (0.34) PDK2DPP4DPP7AKR1C2AKR1C1
SCHEMBL732428 0.93 DPP4 (0.34) PDK2DPP4DPP7AKR1C2AKR1C1
SCHEMBL732991 0.93 GRIK1 (0.35) PDK2DPP4DPP7AKR1C2AKR1C1
SCHEMBL753053 0.93 GRIK1 (0.35) PDK2DPP4DPP7AKR1C2AKR1C1
SCHEMBL480062 0.92 DPP4 (0.34) DPP4DPP7AKR1C2AKR1C1F9
SCHEMBL754902 0.92 DPP4 (0.34) DPP4DPP7AKR1C2AKR1C1F9
SCHEMBL755590 0.91 ESR1 (0.35) DPP4DPP7AKR1C2RORC
SCHEMBL733422 0.91 ESR1 (0.35) DPP4DPP7AKR1C2RORC
SCHEMBL734909 0.90 S1PR2 (0.34) BAZ2BBAZ2AAKR1C2AKR1C1PDE2A

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 6 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 claimed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US claimed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US claimed
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 PDK2 936/4885DPP4 727/4885DPP7 1548/4885

“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.