SCHEMBL15320073

SCHEMBL15320073

C=CCON(C1CN(C(=O)OC(C)(C)C)[C@H](C(N)=O)C=C1CC(N)=O)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MET P08581 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
F13A1 P00488 1/20 0.31
TGM2 P21980 1/20 0.31
TGM1 P22735 1/20 0.31
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
BTK Q06187 2/20 0.30
PTPN1 P18031 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
SCHEMBL16552780 1.00 NPC1 (0.34) NPC1MEN1KMT2AMETALDH1A1
SCHEMBL15319522 0.95 KMT2A (0.34) NPC1MEN1KMT2AMETALDH1A1
SCHEMBL16552809 0.91 MEN1 (0.32) NPC1MEN1KMT2AMETALDH1A1
SCHEMBL16552810 0.91 MEN1 (0.32) NPC1MEN1KMT2AMETALDH1A1
SCHEMBL19733016 0.90 NPC1 (0.35) NPC1MEN1KMT2AMETALDH1A1
SCHEMBL29593595 0.90 NPC1 (0.35) NPC1MEN1KMT2AMETALDH1A1
SCHEMBL16552757 0.90 NPC1 (0.35) NPC1MEN1KMT2AMETALDH1A1
SCHEMBL15319706 0.90 NPC1 (0.35) NPC1MEN1KMT2AMETALDH1A1
SCHEMBL19733015 0.90 NPC1 (0.35) NPC1MEN1KMT2AMETALDH1A1
SCHEMBL19733037 0.88 NPC1 (0.35) NPC1MEN1KMT2AMETALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2834239-B1 HETEROBICYCLIC COMPOUNDS AS BETA-LACTAMASE INHIBITORS ENTASIS THERAPEUTICS LTD (GB) 2017-12-27 EP disclosed
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
EP-2834239-A1 HETEROBICYCLIC COMPOUNDS AS BETA-LACTAMASE INHIBITORS Astrazeneca AB (SE) 2015-02-11 EP disclosed
WO-2013150296-A1 HETEROBICYCLIC COMPOUNDS AS BETA-LACTAMASE INHIBITORS ASTRAZENECA AB (SE) 2013-10-10 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-20160175290-A1 BETA-LACTAMASE INHIBITOR COMPOUNDS LCT, MGAM, SI NPC1 1243/4885MEN1 3098/4885KMT2A 1304/4885
US-20150073011-A1 Beta-Lactamase Inhibitor Compounds LCT, MGAM, SI NPC1 1243/4885MEN1 3098/4885KMT2A 1304/4885

“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.