SCHEMBL15729186

SCHEMBL15729186

Cn1cncc1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.54
▸ TP53 P04637 3/20 0.54
▸ MDM2 Q00987 7/20 0.51
▸ CASP3 P42574 2/20 0.47
▸ TLR2 O60603 1/20 0.44

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
SCHEMBL18795312 1.00 MDM4 (0.54) MDM4TP53MDM2CASP3TLR2
SCHEMBL29615250 1.00 MDM4 (0.54) MDM4TP53MDM2CASP3TLR2
SCHEMBL13470198 0.88 MDM4 (0.52) MDM4TP53MDM2CASP3TLR2
SCHEMBL13470493 0.86 MDM4 (0.50) MDM4TP53MDM2CASP3
SCHEMBL12040111 0.85 MDM4 (0.52) MDM4TP53MDM2CASP3TLR2
SCHEMBL119483 0.85 MDM4 (0.52) MDM4TP53MDM2CASP3TLR2
SCHEMBL5717685 0.82 MDM4 (0.49) MDM4TP53MDM2CASP3
SCHEMBL119712 0.82 MDM4 (0.49) MDM4TP53MDM2CASP3
SCHEMBL30196497 0.82 MDM4 (0.49) MDM4TP53MDM2CASP3
SCHEMBL31369795 0.82 MDM4 (0.53) MDM4TP53MDM2CASP3

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 21 patents — showing the first 20. 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
US-11753444-B2 Modulation of structured polypeptide specificity Bicyclerd Limited (GB) 2023-09-12 — — US disclosed
US-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN-LA ROCHE INC. (US) 2022-12-29 — — US disclosed
CN-108350028-B Peptide macrocycles against Acinetobacter baumannii 豪夫迈·罗氏有限公司 2021-12-07 — — CN disclosed
US-11149066-B2 Thrombospondin 1-binding peptide DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-10-19 — — US disclosed
US-20210079043-A1 MODULATION OF STRUCTURED POLYPEPTIDE SPECIFICITY Bicyclerd Limited (GB) 2021-03-18 — — US disclosed
US-10870679-B2 Modulation of structured polypeptide specificity Bicyclerd Limited (GB) 2020-12-22 — — US disclosed
EP-3368544-B1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN LA ROCHE (CH) 2020-06-17 — — EP disclosed
US-20200131230-A1 THROMBOSPONDIN 1-BINDING PEPTIDE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-04-30 — — US disclosed
US-20180362578-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN-LA ROCHE INC. (US) 2018-12-20 — — US disclosed
EP-2983722-B1 MODULATION OF STRUCTURED POLYPEPTIDE SPECIFICITY BICYCLERD LTD (GB) 2018-12-12 — — EP disclosed
US-10118947-B2 Modulation of structured polypeptide specificity Bicyclerd Limited (GB) 2018-11-06 — — US 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-20160046673-A1 MODULATION OF STRUCTURED POLYPEPTIDE SPECIFICITY BICYCLE THERAPEUTICS LIMITED (GB) 2016-02-18 — — US disclosed
EP-2983722-A1 MODULATION OF STRUCTURED POLYPEPTIDE SPECIFICITY Bicycle Therapeutics Limited (GB) 2016-02-17 — — EP disclosed
WO-2014167122-A1 MODULATION OF STRUCTURED POLYPEPTIDE SPECIFICITY BICYCLE THERAPEUTICS LIMITED (GB) 2014-10-16 — — WO disclosed
US-20140142044-A1 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE The United States of America, as represented by the Secretary, Department of Health & Human Servic (US) 2014-05-22 — — 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 (12 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-11149066-B2 Thrombospondin 1-binding peptide SERPINC1, TEK, ARGLU1 MDM4 3675/4885TP53 4241/4885MDM2 4184/4885
US-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 MDM4 3771/4885TP53 3724/4885MDM2 4288/4885
US-20140142044-A1 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE PLK1, PLK4, PLK3 MDM4 1071/4885TP53 452/4885MDM2 1062/4885
US-20200131230-A1 THROMBOSPONDIN 1-BINDING PEPTIDE SERPINC1, TEK, ARGLU1 MDM4 3675/4885TP53 4241/4885MDM2 4184/4885
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii VIP, ARG1, CX3CR1 MDM4 3771/4885TP53 3724/4885MDM2 4288/4885
US-10870679-B2 Modulation of structured polypeptide specificity KLKB1, KLK5, KLK1 MDM4 3079/4885TP53 3247/4885MDM2 4091/4885
US-20180362578-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 MDM4 3771/4885TP53 3724/4885MDM2 4288/4885
US-20170233437-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 MDM4 3771/4885TP53 3724/4885MDM2 4288/4885
US-10118947-B2 Modulation of structured polypeptide specificity KLKB1, KLK5, KLK1 MDM4 3079/4885TP53 3247/4885MDM2 4091/4885
US-11753444-B2 Modulation of structured polypeptide specificity KLKB1, KLK5, KLK1 MDM4 3079/4885TP53 3247/4885MDM2 4091/4885
US-10030047-B2 Peptide macrocycles against acinetobacter baumannii VIP, ARG1, CX3CR1 MDM4 3771/4885TP53 3724/4885MDM2 4288/4885
US-20210079043-A1 MODULATION OF STRUCTURED POLYPEPTIDE SPECIFICITY KLKB1, KLK5, KLK1 MDM4 3079/4885TP53 3247/4885MDM2 4091/4885

“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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