SCHEMBL734560

SCHEMBL734560

CCn1cc(C(O)(C(C)c2ccc(-c3ccc(F)c(C(=O)O)c3)cc2Cl)C(F)(F)F)ccc1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.34
ICMT O60725 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
GRIN2B Q13224 3/20 0.32
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
S1PR2 O95136 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
SCHEMBL753067 1.00 PDE4B (0.36) PDE4BMRGPRX4ICMTPTGDR2AKR1C2
SCHEMBL753303 0.93 RARB (0.36) PDE4BICMTPTGDR2AKR1C2AKR1C1
SCHEMBL734218 0.93 RARB (0.36) PDE4BICMTPTGDR2AKR1C2AKR1C1
SCHEMBL480897 0.91 BAZ2B (0.38) MRGPRX4PTGDR2
SCHEMBL753066 0.91 BAZ2B (0.38) MRGPRX4PTGDR2
SCHEMBL754902 0.89 DPP4 (0.34) PDE4BMRGPRX4AKR1C2AKR1C1DPP4
SCHEMBL480062 0.89 DPP4 (0.34) PDE4BMRGPRX4AKR1C2AKR1C1DPP4
SCHEMBL15789698 0.88 ALK (0.34) ICMTPTGDR2GRIN2BDPP4DPP7
SCHEMBL734058 0.87 ESR1 (0.35) AKR1C2SMN1; SMN2
SCHEMBL754911 0.87 ESR1 (0.35) AKR1C2SMN1; SMN2

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 PDE4B 1033/4885MRGPRX4 284/4885ICMT 4531/4885

“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.