SCHEMBL17976512

SCHEMBL17976512

CC(C)(C)OC(=O)NCCONC(=O)[C@@H]1CC[C@H]2CN1C(=O)N2O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.35
GFER P55789 1/20 0.35
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 4/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
IDO1 P14902 1/20 0.32
TLR2 O60603 1/20 0.32
TLR1 Q15399 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MAN2B1 O00754 1/20 0.32

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
SCHEMBL22782594 1.00 EPHX1 (0.35) EPHX1GFERCA12CA1CA2
SCHEMBL16730093 1.00 EPHX1 (0.35) EPHX1GFERCA12CA1CA2
SCHEMBL15342690 1.00 EPHX1 (0.35) EPHX1GFERCA12CA1CA2
SCHEMBL29880224 0.94 CA12 (0.37) EPHX1GFERCA12CA1CA2
SCHEMBL19134631 0.94 CA12 (0.37) EPHX1GFERCA12CA1CA2
SCHEMBL16730174 0.94 CA12 (0.37) EPHX1GFERCA12CA1CA2
SCHEMBL16622621 0.94 CA12 (0.37) EPHX1GFERCA12CA1CA2
SCHEMBL15807993 0.92 EPHX1 (0.33) EPHX1GFER
SCHEMBL17465347 0.90 EPHX1 (0.35) EPHX1GFERCA12CA1CA2
SCHEMBL17465344 0.88 EPHX1 (0.34) EPHX1GFERCA12CA1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230201218-A1 BETA-LACTAMASE INHIBITORS AND USES THEREOF ARIXA PHARMACEUTICALS, INC. (US) 2023-06-29 US disclosed
CN-110662746-B Compounds as orally administered prodrugs of beta-lactamase inhibitors, pharmaceutical compositions thereof and use for treating bacterial infections 阿里萨制药有限公司 2022-08-19 CN disclosed
EP-3067355-A1 CRYSTALS OF DIAZABICYCLOOCTANE DERIVATIVE AND PRODUCTION METHOD FOR CRYSTALS OF DIAZABICYCLOOCTANE DERIVATIVE Meiji Seika Pharma Co., Ltd. (JP) 2016-09-14 EP disclosed
WO-2016120752-A1 A PROCESS FOR PREPARATION OF (2S, 5R)-N-(2-AMINO ETHOXY)-6-(SULFOOXY)-7-OXO-1,6- DIAZABICYCLO [3.2.1] OCTANE-2-CARBOXAMIDE WOCKHARDT LIMITED (IN) 2016-08-04 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-20230201218-A1 BETA-LACTAMASE INHIBITORS AND USES THEREOF GAA, LCT, MGAM EPHX1 1249/4885GFER 667/4885CA12 2563/4885

“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.