SCHEMBL2729460

SCHEMBL2729460

Cc1c(Oc2ccc(CC3COS(=O)OC3)cc2)ncnc1OC1CCN(c2ncccn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 18/20 0.40
PIK3CD O00329 1/20 0.36
CHI3L1 P36222 1/20 0.36
KCNH2 Q12809 1/20 0.36
CHIT1 Q13231 1/20 0.36
CHIA Q9BZP6 1/20 0.36

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
SCHEMBL3696623 1.00 GPR119 (0.40) GPR119PIK3CDCHI3L1KCNH2CHIT1
SCHEMBL3693086 1.00 GPR119 (0.40) GPR119PIK3CDCHI3L1KCNH2CHIT1
SCHEMBL2730645 0.91 GPR119 (0.42) GPR119
SCHEMBL3695863 0.91 GPR119 (0.42) GPR119
SCHEMBL3698226 0.91 GPR119 (0.42) GPR119
SCHEMBL2716762 0.88 GPR119 (0.40) GPR119PIK3CDCHI3L1KCNH2CHIT1
SCHEMBL2718371 0.88 GPR119 (0.40) GPR119PIK3CDCHI3L1KCNH2CHIT1
SCHEMBL2730168 0.87 GPR119 (0.41) GPR119PIK3CD
SCHEMBL3699548 0.87 GPR119 (0.41) GPR119PIK3CD
SCHEMBL3693685 0.87 GPR119 (0.41) GPR119PIK3CD

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 GPR119 1/4885PIK3CD 2076/4885CHI3L1 3727/4885

“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.