SCHEMBL19972880

SCHEMBL19972880

C=CCONC1C=C(C)C(C(N)=O)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.32
TGM2 P21980 1/20 0.32
TGM1 P22735 1/20 0.32
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPC1 O15118 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
SCHEMBL19972870 1.00 F13A1 (0.32) F13A1TGM2TGM1CYP1A2POLB
SCHEMBL19972881 1.00 F13A1 (0.32) F13A1TGM2TGM1CYP1A2POLB
SCHEMBL28714864 0.86
SCHEMBL21082824 0.80 BTK (0.30)
SCHEMBL15318936 0.73 F13A1 (0.31) F13A1TGM2TGM1
SCHEMBL15336723 0.73 F13A1 (0.31) F13A1TGM2TGM1
SCHEMBL15318935 0.73 F13A1 (0.31) F13A1TGM2TGM1
SCHEMBL21638925 0.73 ACACB (0.36) F13A1TGM2TGM1
SCHEMBL994973 0.72 NAMPT (0.36) F13A1TGM2TGM1
SCHEMBL16558945 0.72 NFKB1 (0.33) CYP1A2POLBCYP3A4CYP2C19

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
EP-3512851-B1 BETA-LACTAMASE INHIBITOR COMPOUNDS ENTASIS THERAPEUTICS LTD (GB) 2022-07-06 EP 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 F13A1 3512/4885TGM2 1205/4885TGM1 771/4885
US-10800778-B2 Beta-lactamase inhibitor compounds LCT, MGAM, MRPL21 F13A1 3512/4885TGM2 1205/4885TGM1 771/4885

“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.