SCHEMBL480062

SCHEMBL480062

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.34
DPP7 Q9UHL4 3/20 0.34
AKR1C2 P52895 2/20 0.34
AKR1C1 Q04828 2/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
PDE4B Q07343 1/20 0.33
F9 P00740 1/20 0.32
ENPP2 Q13822 1/20 0.32
PDE5A O76074 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE7A Q13946 1/20 0.32
PDE1C Q14123 1/20 0.32
PDE3A Q14432 1/20 0.32
MET P08581 1/20 0.31
ALK Q9UM73 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
SCHEMBL754902 1.00 DPP4 (0.34) DPP4DPP7AKR1C2AKR1C1MRGPRX4
SCHEMBL755583 0.93 DPP4 (0.34) DPP4DPP7AKR1C2AKR1C1F9
SCHEMBL732428 0.93 DPP4 (0.34) DPP4DPP7AKR1C2AKR1C1F9
SCHEMBL753053 0.93 GRIK1 (0.35) DPP4DPP7AKR1C2AKR1C1MRGPRX4
SCHEMBL732991 0.93 GRIK1 (0.35) DPP4DPP7AKR1C2AKR1C1MRGPRX4
SCHEMBL755587 0.92 PDK2 (0.36) DPP4DPP7AKR1C2AKR1C1F9
SCHEMBL734223 0.92 PDK2 (0.36) DPP4DPP7AKR1C2AKR1C1F9
SCHEMBL734560 0.89 PDE4B (0.36) DPP4DPP7AKR1C2AKR1C1MRGPRX4
SCHEMBL753067 0.89 PDE4B (0.36) DPP4DPP7AKR1C2AKR1C1MRGPRX4
SCHEMBL754461 0.89 BAZ2B (0.44) MRGPRX4F9

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 10 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
EP-2411361-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP claimed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US claimed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO 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
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 DPP4 727/4885DPP7 1548/4885AKR1C2 154/4885

“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.