SCHEMBL16558945

SCHEMBL16558945

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAP4K4 O95819 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
USP30 Q70CQ3 1/20 0.32
HSD11B1 P28845 1/20 0.32
HTRA1 Q92743 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
SCHEMBL16558944 0.88 HSD17B10 (0.36) NR1H2NR1H3CYP1A2POLBCYP3A4
SCHEMBL19972949 0.88 NFKB1 (0.37) NFKB1NFKB2RELADDB1CRBN
SCHEMBL19972951 0.88 NFKB1 (0.37) NFKB1NFKB2RELADDB1CRBN
SCHEMBL19972948 0.88 NFKB1 (0.37) NFKB1NFKB2RELADDB1CRBN
SCHEMBL16558955 0.84 NR1H3 (0.34) DDB1CRBNNR1H2NR1H3MAP4K4
SCHEMBL19978912 0.80 NFKB1 (0.34) NFKB1NFKB2RELA
SCHEMBL16558943 0.80 NFKB1 (0.36) NFKB1NFKB2RELANR1H2NR1H3
SCHEMBL16558942 0.80 MEN1 (0.40) NFKB1NFKB2RELANR1H2NR1H3
SCHEMBL16558954 0.75 USP30 (0.35) NR1H2NR1H3JAK2JAK1USP30
SCHEMBL31286151 0.74 GPR119 (0.37) NR1H2NR1H3MAP4K4

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-9623014-B2 β-lactamase inhibitor compounds ENTASIS THERAPEUTICS LIMITED (GB) 2017-04-18 US disclosed
US-20160175290-A1 BETA-LACTAMASE INHIBITOR COMPOUNDS ASTRAZENECA PHARMACEUTICALS LP 2016-06-23 US disclosed
US-9309245-B2 Beta-lactamase inhibitor compounds ENTASIS THERAPEUTICS LIMITED (GB) 2016-04-12 US disclosed
US-20150073011-A1 Beta-Lactamase Inhibitor Compounds ASTRAZENECA AB (SE) 2015-03-12 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 (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-20160175290-A1 BETA-LACTAMASE INHIBITOR COMPOUNDS LCT, MGAM, SI NFKB1 1842/4885NFKB2 2601/4885RELA 1379/4885
US-20150073011-A1 Beta-Lactamase Inhibitor Compounds LCT, MGAM, SI NFKB1 1842/4885NFKB2 2601/4885RELA 1379/4885

“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.