SCHEMBL15625939

SCHEMBL15625939

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)CN=[N+]=[N-])C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CTSK P43235 6/20 0.42
▸ CTSS P25774 3/20 0.42
▸ CAPN1 P07384 1/20 0.42
▸ ALB P02768 4/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.38
▸ TGM2 P21980 2/20 0.38
▸ KLK7 P49862 1/20 0.38
▸ KLK5 Q9Y337 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ FOLH1 Q04609 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL14674508 1.00 ALDH1A1 (0.46) ALDH1A1TSHRMEN1GAAKMT2A
SCHEMBL14682796 0.91 TDP1 (0.45) ALDH1A1MEN1KMT2ACTSKCTSS
SCHEMBL29796125 0.90 CAPN1 (0.46) ALDH1A1TSHRMEN1GAAKMT2A
SCHEMBL15498945 0.89 CAPN1 (0.47) ALDH1A1TSHRMEN1GAAKMT2A
SCHEMBL21602728 0.87 CAPN1 (0.46) ALDH1A1TSHRMEN1GAAKMT2A
SCHEMBL23278802 0.84 MEN1 (0.45) ALDH1A1TSHRMEN1GAAKMT2A
SCHEMBL30029104 0.84 MEN1 (0.45) ALDH1A1TSHRMEN1GAAKMT2A
SCHEMBL30895514 0.84 ALB (0.43) ALDH1A1TSHRMEN1GAAKMT2A
SCHEMBL14439650 0.84 ALDH1A1 (0.46) ALDH1A1TSHRMEN1GAAKMT2A
SCHEMBL15888952 0.84 ALDH1A1 (0.46) ALDH1A1TSHRMEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240409672-A1 MODIFIED ALGINATES AND METHODS OF MAKING AND USING THEREOF NATIONAL INSTITUTES OF HEALTH 2024-12-12 — — US disclosed
EP-4422691-A1 MODIFIED ALGINATES AND METHODS OF MAKING AND USING THEREOF North Carolina State University (US) 2024-09-04 — — EP disclosed
CN-118434448-A Modified alginates and methods of making and using the same 北卡罗来纳大学 2024-08-02 — — CN disclosed
WO-2023077112-A1 MODIFIED ALGINATES AND METHODS OF MAKING AND USING THEREOF NORTH CAROLINA STATE UNIVERSITY (US) 2023-05-04 — — WO disclosed
US-10253345-B2 Cell lines MEDIMMUNE LIMITED (GB) 2019-04-09 — — US disclosed
EP-2898085-B1 CELL LINES MEDIMMUNE LTD (GB) 2019-01-23 — — EP disclosed
US-20170306381-A1 CELL LINES ALLOZYNE, INC. 2017-10-26 — — US disclosed
US-20170306380-A1 AMINO ACID DERIVATIVES MEDIMMUNE LIMITED (GB) 2017-10-26 — — US disclosed
WO-2014044873-A1 AMINO ACID DERIVATIVES ALLOZYNE, INC (US) 2014-03-27 — — WO disclosed
WO-2014044872-A1 CELL LINES ALLOZYNE, INC (US) 2014-03-27 — — 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 (3 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-10253345-B2 Cell lines AARS1, LARS1, IARS1 ALDH1A1 4751/4885TSHR 563/4885MEN1 2150/4885
US-20170306381-A1 CELL LINES AARS1, LARS1, IARS1 ALDH1A1 4751/4885TSHR 563/4885MEN1 2150/4885
US-20170306380-A1 AMINO ACID DERIVATIVES BCAT2, DNPEP, BCAT1 ALDH1A1 2753/4885TSHR 1443/4885MEN1 2550/4885

“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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