SCHEMBL16553000

SCHEMBL16553000

C=CCON([C@@H]1C=C(C)[C@@H](CO[Si](C)(C)C(C)(C)C)N(C(=O)O)C1)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
HRAS P01112 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 2/20 0.31
POLB P06746 2/20 0.31
TDP1 Q9NUW8 1/20 0.30
PTPN1 P18031 1/20 0.30
GAA P10253 1/20 0.30
PKM P14618 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
SCHEMBL19972987 0.92 MET (0.33) KMT2AMEN1HRASSMN1; SMN2LMNA
SCHEMBL15320408 0.92 MET (0.33) KMT2AMEN1HRASSMN1; SMN2LMNA
SCHEMBL16553179 0.92 MET (0.33) KMT2AMEN1HRASSMN1; SMN2LMNA
SCHEMBL29593123 0.92 MET (0.33) KMT2AMEN1HRASSMN1; SMN2LMNA
SCHEMBL29759095 0.91 ALDH1A1 (0.33) KMT2AMEN1ALDH1A1MAPTHRAS
SCHEMBL28696662 0.88 KMT2A (0.36) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL28714841 0.87 KMT2A (0.33) KMT2AMEN1ALDH1A1MAPTHRAS
SCHEMBL29759019 0.87 KMT2A (0.33) KMT2AMEN1ALDH1A1MAPTHRAS
SCHEMBL16553088 0.84 MET (0.32) KMT2AMEN1
SCHEMBL15320275 0.84 MET (0.32) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591223-A Beta-lactamase inhibitor compounds 恩塔西斯治疗有限公司 2022-06-07 CN disclosed
CN-109715630-B Beta-lactamase inhibitor compounds 恩塔西斯治疗有限公司 2022-02-22 CN disclosed
EP-3512851-A1 BETA-LACTAMASE INHIBITOR COMPOUNDS Entasis Therapeutics Limited (GB) 2019-07-24 EP disclosed
WO-2018053215-A1 BETA-LACTAMASE INHIBITOR COMPOUNDS ENTASIS THERAPEUTICS LIMITED (GB) 2018-03-22 WO disclosed
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

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 KMT2A 1304/4885MEN1 3098/4885ALDH1A1 319/4885
US-20150073011-A1 Beta-Lactamase Inhibitor Compounds LCT, MGAM, SI KMT2A 1304/4885MEN1 3098/4885ALDH1A1 319/4885

“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.