SCHEMBL19973022

SCHEMBL19973022

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

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 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
SCHEMBL19978912 0.92 NFKB1 (0.34) NFKB1NFKB2RELA
SCHEMBL26621759 0.82 NFKB1 (0.37) NFKB1NFKB2RELA
SCHEMBL19973017 0.82
SCHEMBL22506790 0.82
SCHEMBL19978927 0.81 NR1H2 (0.35) NFKB1NFKB2RELA
SCHEMBL19978905 0.76 NR1H2 (0.30)
SCHEMBL19972951 0.74 NFKB1 (0.37) NFKB1NFKB2RELA
SCHEMBL19972948 0.74 NFKB1 (0.37) NFKB1NFKB2RELA
SCHEMBL19972949 0.74 NFKB1 (0.37) NFKB1NFKB2RELA
SCHEMBL16558945 0.71 NFKB1 (0.33) NFKB1NFKB2RELA

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-2023212343-A1 DURLOBACTAM CRYSTALLINE FORMS ENTASIS THERAPEUTICS LIMITED (GB) 2023-11-02 WO disclosed
US-10800778-B2 Beta-lactamase inhibitor compounds ENTASIS THERAPEUTICS LIMITED (GB) 2020-10-13 US disclosed
EP-3512851-A1 BETA-LACTAMASE INHIBITOR COMPOUNDS Entasis Therapeutics Limited (GB) 2019-07-24 EP 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.