SCHEMBL19978889

SCHEMBL19978889

COC(=O)[C@@H]1C(C)=C[C@@H](N(O)C(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
PDE4B Q07343 3/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
PTPN1 P18031 1/20 0.35
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD11B1 P28845 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL19972965 1.00 NR1H2 (0.37) NR1H2NR1H3PDE4BNFKB1NFKB2
SCHEMBL19972949 0.87 NFKB1 (0.37) NR1H2NR1H3NFKB1NFKB2RELA
SCHEMBL19972948 0.87 NFKB1 (0.37) NR1H2NR1H3NFKB1NFKB2RELA
SCHEMBL19972951 0.87 NFKB1 (0.37) NR1H2NR1H3NFKB1NFKB2RELA
SCHEMBL19978927 0.83 NR1H2 (0.35) NR1H2NR1H3PDE4BNFKB1NFKB2
SCHEMBL15423576 0.78 NR1H2 (0.41) NR1H2NR1H3PDE4BNFKB1NFKB2
SCHEMBL16558944 0.75 HSD17B10 (0.36) NR1H2NR1H3CYP1A2POLBCYP3A4
SCHEMBL16558945 0.74 NFKB1 (0.33) NR1H2NR1H3NFKB1NFKB2RELA
SCHEMBL19978789 0.71 GPR119 (0.37) NR1H2NFKB1NFKB2RELAPTPN1
SCHEMBL19978859 0.71 GPR119 (0.37) NR1H2NFKB1NFKB2RELAPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591223-B Beta-lactamase inhibitor compounds 恩塔西斯治疗有限公司 2025-01-24 CN disclosed
EP-3512851-B1 BETA-LACTAMASE INHIBITOR COMPOUNDS ENTASIS THERAPEUTICS LTD (GB) 2022-07-06 EP disclosed
CN-114591223-A Beta-lactamase inhibitor compounds 恩塔西斯治疗有限公司 2022-06-07 CN disclosed
CN-109715630-B Beta-lactamase inhibitor compounds 恩塔西斯治疗有限公司 2022-02-22 CN disclosed
US-10800778-B2 Beta-lactamase inhibitor compounds ENTASIS THERAPEUTICS LIMITED (GB) 2020-10-13 US disclosed
US-10800778-B2 Beta-lactamase inhibitor compounds ENTASIS THERAPEUTICS LIMITED (GB) 2020-10-13 US disclosed
US-20190202832-A1 BETA-LACTAMASE INHIBITOR COMPOUNDS ENTASIS THERAPEUTICS LIMITED (GB) 2019-07-04 US disclosed
US-20190202832-A1 BETA-LACTAMASE INHIBITOR COMPOUNDS ENTASIS THERAPEUTICS LIMITED (GB) 2019-07-04 US disclosed
WO-2018053215-A1 BETA-LACTAMASE INHIBITOR COMPOUNDS ENTASIS THERAPEUTICS LIMITED (GB) 2018-03-22 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 (2 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-20190202832-A1 BETA-LACTAMASE INHIBITOR COMPOUNDS LCT, MGAM, MRPL21 NR1H2 1727/4885NR1H3 1666/4885PDE4B 860/4885
US-10800778-B2 Beta-lactamase inhibitor compounds LCT, MGAM, MRPL21 NR1H2 1727/4885NR1H3 1666/4885PDE4B 860/4885

“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.