SCHEMBL19978893

SCHEMBL19978893

CC1=C[C@@H](C(N)=O)N(C(=O)OC(C)(C)C)C[C@@H]1N(O)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
HSD11B1 P28845 2/20 0.31
HTRA1 Q92743 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
JAK3 P52333 1/20 0.31
GPR119 Q8TDV5 2/20 0.31
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
USP30 Q70CQ3 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL19978905 0.82 NR1H2 (0.30) NR1H2NR1H3
SCHEMBL19972951 0.78 NFKB1 (0.37) NFKB1NFKB2RELACYP1A2POLB
SCHEMBL19972949 0.78 NFKB1 (0.37) NFKB1NFKB2RELACYP1A2POLB
SCHEMBL19972948 0.78 NFKB1 (0.37) NFKB1NFKB2RELACYP1A2POLB
SCHEMBL22506790 0.74
SCHEMBL19973017 0.74
SCHEMBL19978897 0.73 GPR119 (0.36) NR1H2JAK3GPR119KMT2ADDB1
SCHEMBL29593084 0.71 NR1H2 (0.39) HSD11B1NR1H2GPR119LMNANPSR1
SCHEMBL15319764 0.70 L3MBTL1 (0.33)
SCHEMBL15319762 0.70 L3MBTL1 (0.33)

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 6 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
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
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 NFKB1 1068/4885NFKB2 1786/4885RELA 670/4885
US-10800778-B2 Beta-lactamase inhibitor compounds LCT, MGAM, MRPL21 NFKB1 1068/4885NFKB2 1786/4885RELA 670/4885

“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.