SCHEMBL16463752

SCHEMBL16463752

O=C(N[C@@H](CCCO)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 7/20 0.58
▸ MDM4 O15151 3/20 0.57
▸ TP53 P04637 3/20 0.57
▸ TLR2 O60603 2/20 0.54
▸ CASP3 P42574 2/20 0.52
▸ KMT2A Q03164 1/20 0.51

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
SCHEMBL20530570 1.00 MDM2 (0.58) MDM2MDM4TP53TLR2CASP3
SCHEMBL4600023 0.96 MDM2 (0.57) MDM2MDM4TP53TLR2CASP3
SCHEMBL30278748 0.96 MDM2 (0.57) MDM2MDM4TP53TLR2CASP3
SCHEMBL30854537 0.96 MDM2 (0.57) MDM2MDM4TP53TLR2CASP3
SCHEMBL4600019 0.96 MDM2 (0.57) MDM2MDM4TP53TLR2CASP3
SCHEMBL25362302 0.96 MDM2 (0.57) MDM2MDM4TP53TLR2CASP3
SCHEMBL8892538 0.93 MDM2 (0.60) MDM2MDM4TP53TLR2CASP3
SCHEMBL8893047 0.93 MDM2 (0.60) MDM2MDM4TP53TLR2CASP3
SCHEMBL15681926 0.93 MDM4 (0.59) MDM2MDM4TP53TLR2CASP3
SCHEMBL389249 0.93 MDM4 (0.59) MDM2MDM4TP53TLR2CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii HOFFMANN-LA ROCHE INC. (US) 2024-06-18 — — US disclosed
CN-110366556-B Antibacterial peptide macrocyclic compounds and uses thereof 豪夫迈·罗氏有限公司 2024-01-05 — — CN disclosed
US-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN-LA ROCHE INC. (US) 2022-12-29 — — US disclosed
US-11066443-B2 Anti-bacterial peptide macrocycles and use thereof HOFFMANN-LA ROCHE INC. (US) 2021-07-20 — — US disclosed
EP-3368544-B1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN LA ROCHE (CH) 2020-06-17 — — EP disclosed
EP-3609904-A1 ANTI-BACTERIAL PEPTIDE MACROCYCLES AND USE THEREOF H. Hoffnabb-La Roche Ag (CH) 2020-02-19 — — EP disclosed
US-20200040031-A1 ANTI-BACTERIAL PEPTIDE MACROCYCLES AND USE THEREOF HOFFMANN LA ROCHE (US) 2020-02-06 — — US disclosed
US-20180362578-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN-LA ROCHE INC. (US) 2018-12-20 — — US disclosed
WO-2018189065-A1 ANTI-BACTERIAL PEPTIDE MACROCYCLES AND USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2018-10-18 — — WO disclosed
EP-3388444-A1 ANTI-BACTERIAL PEPTIDE MACROCYCLES AND USE THEREOF F. Hoffmann-La Roche AG (CH) 2018-10-17 — — EP disclosed
EP-3368544-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII H. Hoffnabb-La Roche Ag (CH) 2018-09-05 — — EP disclosed
US-10030047-B2 Peptide macrocycles against acinetobacter baumannii HOFFMANN-LA ROCHE INC. (US) 2018-07-24 — — US disclosed
US-20170233437-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN-LA ROCHE INC. (US) 2017-08-17 — — US disclosed
WO-2017072062-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII F. HOFFMANN-LA ROCHE AG (CH) 2017-05-04 — — WO disclosed
US-9493512-B2 Solution phase processes for the manufacture of macrocyclic depsipeptides and new intermediates NOVARTIS AG (CH) 2016-11-15 — — US disclosed
EP-2906585-A2 SOLUTION PHASE PROCESSES FOR THE MANUFACTURE OF MACROCYCLIC DEPSIPEPTIDES AND NEW INTERMEDIATES Novartis AG (CH) 2015-08-19 — — EP disclosed
US-20150218224-A1 Solution Phase Processes for the Manufacture of Macrocyclic Depsipeptides and New Intermediates NOVARTIS AG (CH) 2015-08-06 — — US disclosed
WO-2014057418-A2 SOLUTION PHASE PROCESSES FOR THE MANUFACTURE OF MACROCYCLIC DEPSIPEPTIDES AND NEW INTERMEDIATES NOVARTIS AG (CH) 2014-04-17 — — 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 (8 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-11066443-B2 Anti-bacterial peptide macrocycles and use thereof CFTR, VIP, NGLY1 MDM2 4725/4885MDM4 3930/4885TP53 3587/4885
US-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 MDM2 4288/4885MDM4 3771/4885TP53 3724/4885
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii VIP, ARG1, CX3CR1 MDM2 4288/4885MDM4 3771/4885TP53 3724/4885
US-20200040031-A1 ANTI-BACTERIAL PEPTIDE MACROCYCLES AND USE THEREOF CFTR, VIP, NGLY1 MDM2 4725/4885MDM4 3930/4885TP53 3587/4885
US-20180362578-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 MDM2 4288/4885MDM4 3771/4885TP53 3724/4885
US-20170233437-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 MDM2 4288/4885MDM4 3771/4885TP53 3724/4885
US-10030047-B2 Peptide macrocycles against acinetobacter baumannii VIP, ARG1, CX3CR1 MDM2 4288/4885MDM4 3771/4885TP53 3724/4885
US-20150218224-A1 Solution Phase Processes for the Manufacture of Macrocyclic Depsipeptides and New Intermediates VIP, NPPA, DNPEP MDM2 1393/4885MDM4 1117/4885TP53 501/4885

“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.

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