SCHEMBL15318909

SCHEMBL15318909

C=CC(CO)N(OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 4/20 0.49
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
SYK P43405 1/20 0.37
PPARA Q07869 1/20 0.37
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
LTA4H P09960 1/20 0.35

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
SCHEMBL15320116 1.00 NPSR1 (0.52) NPSR1L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL15319112 0.89 NPSR1 (0.51) NPSR1L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL15336580 0.89 NPSR1 (0.51) NPSR1L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL16552687 0.82 NPSR1 (0.46) NPSR1L3MBTL1
SCHEMBL16552688 0.82 NPSR1 (0.46) NPSR1L3MBTL1
SCHEMBL2944484 0.82 L3MBTL1 (0.50) NPSR1L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL5862801 0.81 L3MBTL1 (0.49) NPSR1L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL1711414 0.81 L3MBTL1 (0.50) NPSR1L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL8300754 0.79 L3MBTL1 (0.52) NPSR1L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL1913579 0.79 L3MBTL1 (0.49) NPSR1L3MBTL1HDAC3HDAC1HDAC2

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 NPSR1 2765/4885L3MBTL1 388/4885HDAC3 862/4885
US-20150073011-A1 Beta-Lactamase Inhibitor Compounds LCT, MGAM, SI NPSR1 2765/4885L3MBTL1 388/4885HDAC3 862/4885

“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.