SCHEMBL5042734

SCHEMBL5042734

CCOc1cc(C=O)c(F)c(OC2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.48
PDE4D Q08499 3/20 0.47
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
DPP4 P27487 1/20 0.42
KDM1A O60341 1/20 0.40
F10 P00742 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL5047674 0.82 F10 (0.49) F10
SCHEMBL5037598 0.81 GPR119 (0.48) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL5037600 0.81 GPR119 (0.45) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL3250796 0.79 KDM1A (0.53) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL1889385 0.74 KDM1A (0.54) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL275404 0.73 GPR119 (0.52) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL3157462 0.73 PDE4B (0.49) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL225777 0.73 GPR119 (0.64) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL274655 0.73 PDE4B (0.52) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL275205 0.73 PDE4B (0.52) GPR119PDE4DPDE4APDE4BPDE4C

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.