SCHEMBL2729403

SCHEMBL2729403

O=S1OCC(c2ccc(OCc3csc(C4CCN(c5ncccn5)CC4)n3)cc2)CO1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.48
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC6A7 Q99884 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC6A3 Q01959 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
CHI3L1 P36222 1/20 0.33

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
SCHEMBL2718956 1.00 GPR119 (0.48) GPR119MEN1KMT2AKDM4EALDH1A1
SCHEMBL3702657 1.00 GPR119 (0.48) GPR119MEN1KMT2AKDM4EALDH1A1
SCHEMBL3692561 0.89 GPR119 (0.63) GPR119
SCHEMBL3692557 0.89 GPR119 (0.63) GPR119
SCHEMBL3698661 0.89 GPR119 (0.63) GPR119
SCHEMBL2717223 0.87 GPR119 (0.48) GPR119MEN1KMT2AKDM4EALDH1A1
SCHEMBL2716213 0.85 GPR119 (0.50) GPR119MEN1KMT2AKDM4EALDH1A1
SCHEMBL2729167 0.80 GPR119 (0.64) GPR119MEN1KMT2AKDM4EALDH1A1
SCHEMBL2716793 0.80 GPR119 (0.64) GPR119MEN1KMT2AKDM4EALDH1A1
SCHEMBL2716792 0.80 GPR119 (0.64) GPR119MEN1KMT2AKDM4EALDH1A1

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 8 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
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 1/4885MEN1 4364/4885KMT2A 4055/4885

“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.