SCHEMBL5037600

SCHEMBL5037600

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.45
PDE4D Q08499 3/20 0.44
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
DPP4 P27487 1/20 0.41
F10 P00742 1/20 0.39
MMP13 P45452 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL5037893 0.86 F10 (0.51) F10KDM4EALDH1A1MAPTNPSR1
SCHEMBL5042734 0.81 GPR119 (0.48) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL5037598 0.79 GPR119 (0.48) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL6189754 0.71 GPR119 (0.64) GPR119ALDH1A1
SCHEMBL8081317 0.70 GPR119 (0.49) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL3251855 0.70 GPR119 (0.53) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL3166578 0.69 YAP1 (0.54) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL17069403 0.69 GPR119 (0.52) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL2195527 0.69 PDE4A (0.53) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL22265950 0.68 GPR119 (0.59) 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.