SCHEMBL2728030

SCHEMBL2728030

COc1cc(CC2COS(=O)(=O)OC2)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.58
PDE4D Q08499 5/20 0.58
PDE4A P27815 4/20 0.58
PDE4C Q08493 4/20 0.58
GPR119 Q8TDV5 1/20 0.44
PIK3CD O00329 2/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CB P42338 2/20 0.42
PIK3CG P48736 2/20 0.42
STS P08842 1/20 0.42
CACNB4 O00305 1/20 0.41
CACNA1A O00555 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNG3 O60359 1/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNB3 P54284 1/20 0.41
CACNA2D1 P54289 1/20 0.41
CACNG7 P62955 1/20 0.41
CACNA1B Q00975 1/20 0.41

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
SCHEMBL2728027 0.93 PDE4B (0.58) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL2718933 0.87 GPR119 (0.49) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL3712177 0.87 PDE4B (0.58) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL2729382 0.87 PDE4B (0.58) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL2729385 0.87 PDE4B (0.58) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL2716926 0.85 GPR119 (0.53) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL2730968 0.83 PDE4B (0.50) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL2718931 0.81 GPR119 (0.49) PDE4BPDE4DPDE4APDE4CGPR119
SCHEMBL2716884 0.80 GPR119 (0.50) GPR119
SCHEMBL15234245 0.80 CA1 (0.37) PDE4BPDE4DPDE4APDE4CMEN1

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
US-8772302-B2 GPR 119 agonists CADILA HEALTHCARE LIMITED (IN) 2014-07-08 US claimed
EP-2445904-B1 1,3,2-DIOXATHIANE-2-OXIDE DERIVATIVES AND THEIR USE AS GPR 119 AGONISTS CADILA HEALTHCARE LTD (IN) 2013-09-11 EP claimed
US-20120122905-A1 NOVEL GPR 119 AGONISTS CADILA HEALTHCARE LIMITED (IN) 2012-05-17 US claimed
EP-2445904-A1 NOVEL GPR 119 AGONISTS Cadila Healthcare Limited (IN) 2012-05-02 EP claimed
WO-2010146605-A1 NOVEL GPR 119 AGONISTS CADILA HEALTHCARE LIMITED (IN) 2010-12-23 WO claimed
US-8772302-B2 GPR 119 agonists CADILA HEALTHCARE LIMITED (IN) 2014-07-08 US disclosed
EP-2445904-B1 1,3,2-DIOXATHIANE-2-OXIDE DERIVATIVES AND THEIR USE AS GPR 119 AGONISTS CADILA HEALTHCARE LTD (IN) 2013-09-11 EP disclosed
US-20120122905-A1 NOVEL GPR 119 AGONISTS CADILA HEALTHCARE LIMITED (IN) 2012-05-17 US disclosed
EP-2445904-A1 NOVEL GPR 119 AGONISTS Cadila Healthcare Limited (IN) 2012-05-02 EP disclosed
WO-2010146605-A1 NOVEL GPR 119 AGONISTS CADILA HEALTHCARE LIMITED (IN) 2010-12-23 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-20120122905-A1 NOVEL GPR 119 AGONISTS GPR119, GPR4, GPR39 PDE4B 452/4885PDE4D 591/4885PDE4A 587/4885

“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.