SCHEMBL5040944

SCHEMBL5040944

CCOc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)c(F)c(C(OC)C(=O)NCc2ccc(C#N)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.50
PDE4D Q08499 3/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
F10 P00742 1/20 0.39
ALK Q9UM73 1/20 0.39
MMP13 P45452 1/20 0.38
HDAC1 Q13547 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL5040925 0.90 F10 (0.43) GPR119F10
SCHEMBL5041282 0.89 F10 (0.49) F10HTR2A
SCHEMBL5041286 0.89 F10 (0.49) F10HTR2A
SCHEMBL5045642 0.86 F10 (0.39) PDE4DPDE4APDE4BPDE4CF10
SCHEMBL5045638 0.86 F10 (0.39) PDE4DPDE4APDE4BPDE4CF10
SCHEMBL5042471 0.83 KMT2A (0.43) F10
SCHEMBL5042467 0.83 KMT2A (0.43) F10
SCHEMBL6874426 0.83 F10 (0.52) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL5037598 0.82 GPR119 (0.48) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL5041195 0.82 MEN1 (0.39)

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-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 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-20040122057-A1 Novel mandelic acid derivatives F7, F11, F9 GPR119 2202/4885PDE4D 1815/4885PDE4A 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.