SCHEMBL459488

SCHEMBL459488

CC(C)(C)OC(=O)NC1CN(C(=O)OC(C)(C)C)CC1OS(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.44
NR1H2 P55055 1/20 0.39
USP30 Q70CQ3 2/20 0.38
EPHX1 P07099 1/20 0.36
CTSK P43235 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD11B1 P28845 1/20 0.36
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL21052129 1.00 PDE4B (0.44) PDE4BNR1H2USP30EPHX1CTSK
SCHEMBL21052130 1.00 PDE4B (0.44) PDE4BNR1H2USP30EPHX1CTSK
SCHEMBL21092354 0.91 PDE4B (0.38) PDE4BNR1H2USP30EPHX1MAOA
SCHEMBL3621440 0.90 CTSK (0.36) PDE4BUSP30CTSKCA1CA2
SCHEMBL18811768 0.84 NR1H2 (0.47) NR1H2EPHX1USP2SMN1; SMN2GPR119
SCHEMBL18811702 0.84 NR1H2 (0.47) NR1H2EPHX1USP2SMN1; SMN2GPR119
SCHEMBL2933886 0.84 NR1H2 (0.47) NR1H2EPHX1USP2SMN1; SMN2GPR119
SCHEMBL15805570 0.83 PDE4B (0.47) PDE4BNR1H2USP30EPHX1CTSK
SCHEMBL20479586 0.82 PDE4B (0.47) PDE4BUSP30CTSKCA1CA2
SCHEMBL20479584 0.82 PDE4B (0.47) PDE4BUSP30CTSKCA1CA2

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
WO-2019111218-A1 NOVEL HETEROCYCLIC COMPOUNDS AS IRAK4 INHIBITORS CADILA HEALTHCARE LIMITED (IN) 2019-06-13 WO disclosed
EP-1978804-B1 AMINOCYCLOHEXANES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2014-07-30 EP disclosed
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed
US-7750034-B2 Aminocyclohexanes as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2010-07-06 US disclosed
US-20090270467-A1 Aminocyclohexanes as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK & CO., INC. (US) 2009-10-29 US 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-20090270467-A1 Aminocyclohexanes as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 PDE4B 265/4885NR1H2 1466/4885USP30 1830/4885

“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.