SCHEMBL15319101

SCHEMBL15319101

C=CC(CN)N(OCc1ccccc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL15319112 0.83 NPSR1 (0.51) NPSR1L3MBTL1
SCHEMBL19733028 0.78 MAPK1 (0.49) MEN1KMT2ANPSR1CYP2D6CYP2C9
SCHEMBL3241202 0.75 ALDH1A1 (0.41) MEN1KMT2AALOX5ALDH1A1L3MBTL1
SCHEMBL28343493 0.72 ALDH1A1 (0.46) MEN1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL1913624 0.72 ALDH1A1 (0.42) MEN1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL15319103 0.71 ALOX5 (0.41) MEN1KMT2AALOX5ALDH1A1L3MBTL1
SCHEMBL15318909 0.71 NPSR1 (0.52) NPSR1L3MBTL1
SCHEMBL15320116 0.71 NPSR1 (0.52) NPSR1L3MBTL1
SCHEMBL8900203 0.71 ALOX5 (0.45) MEN1KMT2AMAPTALOX5ALDH1A1
SCHEMBL3209123 0.70 ALDH1A1 (0.43) MEN1KMT2AALOX5ALDH1A1MAPK1

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 MEN1 3098/4885KMT2A 1304/4885MAPT 3524/4885
US-20150073011-A1 Beta-Lactamase Inhibitor Compounds LCT, MGAM, SI MEN1 3098/4885KMT2A 1304/4885MAPT 3524/4885

“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.