SCHEMBL2021994

SCHEMBL2021994

NC(=O)CC[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
MMP9 P14780 3/20 0.51
MMP2 P08253 2/20 0.51
CA2 P00918 5/20 0.44
CA1 P00915 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
KIF11 P52732 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40
NAALAD2 Q9Y3Q0 2/20 0.39
GGH Q92820 1/20 0.39
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL27717200 1.00 KMT2A (0.52) KMT2AMMP9MMP2CA2CA1
SCHEMBL5495801 1.00 KMT2A (0.52) KMT2AMMP9MMP2CA2CA1
SCHEMBL4627986 0.87 NAALAD2 (0.51) MMP9NPSR1NAALAD2GGHGAA
SCHEMBL4627982 0.87 NAALAD2 (0.51) MMP9NPSR1NAALAD2GGHGAA
SCHEMBL13726857 0.87 NAALAD2 (0.51) MMP9NPSR1NAALAD2GGHGAA
SCHEMBL2248455 0.85 KMT2A (0.50) KMT2AMMP9MMP2CA2CA1
SCHEMBL2021385 0.84 ALDH1A1 (0.48) KMT2AMMP9MMP2CA2CA1
SCHEMBL28694554 0.84 ALDH1A1 (0.48) KMT2AMMP9MMP2CA2CA1
SCHEMBL2021383 0.84 ALDH1A1 (0.48) KMT2AMMP9MMP2CA2CA1
SCHEMBL29908038 0.82 NPSR1 (0.43) KMT2AKIF11NPSR1NAALAD2GGH

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 91 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101274958-A Bioactive peptide, preparation thereof and application thereof OCEAN UNIV CHINA (CN) 2008-10-01 CN claimed
US-5618825-A ENZYME INHIBITORS; ANTICOAGULANTS; VISION DISORDERS PHARMACOPEIA, INC. (US) 1997-04-08 US claimed
CN-120022382-A Polyamino acid nanoparticle with lung targeting property, and preparation method and application thereof 苏州大学 2025-05-23 CN disclosed
CN-113979886-B Protective amino acid with side chain being amide and preparation method thereof 成都市科隆化学品有限公司 2024-05-24 CN disclosed
CN-116178520-B Cationic peptide and application thereof 浙江大学医学院附属第一医院 2024-04-19 CN disclosed
CN-111886020-B Peptide macrocycles against acinetobacter baumannii 豪夫迈·罗氏有限公司 2024-04-05 CN disclosed
CN-116178520-A Cationic peptide and application thereof 浙江大学医学院附属第一医院 2023-05-30 CN disclosed
US-11628221-B2 Peptide linker and combination for prodrugs activated by prostate-specific antigen RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-04-18 US disclosed
CN-108794422-B Heterocyclic compounds as PD-L1 inhibitors 南京圣和药业股份有限公司 2022-07-01 CN disclosed
CN-113979886-A Protected amino acid with amide side chain and preparation method thereof 成都市科隆化学品有限公司 2022-01-28 CN disclosed
US-11129901-B2 Peptide-linked ester prodrugs activated by prostate-specific antigen RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-09-28 US disclosed
WO-1998020350-A1 COMBINATORIAL HYDROXY-AMINO ACID AMIDE LIBRARIES PHARMACOPEIA, INC. (US) 1998-05-14 WO disclosed
US-5734054-A Hydroxy-amino acid amides PHARMACOPEIA, INC. (US) 1998-03-31 US disclosed
EP-0822200-A1 Synthesis of analogs of PTH and PTrP F. HOFFMANN-LA ROCHE AG (CH) 1998-02-04 EP disclosed
WO-1997027315-A1 COMBINATORIAL HYDROXYPROPYLAMINE LIBRARY PHARMACOPEIA, INC. (US) 1997-07-31 WO disclosed
EP-0751765-A4 SULFONAMIDE DERIVATIVES AND THEIR USE PHARMACOPEIA INC (US) 1997-05-28 EP disclosed
US-5618825-A ENZYME INHIBITORS; ANTICOAGULANTS; VISION DISORDERS PHARMACOPEIA, INC. (US) 1997-04-08 US disclosed
EP-0751765-A1 SULFONAMIDE DERIVATIVES AND THEIR USE PHARMACOPEIA, INC. (US) 1997-01-08 EP disclosed
WO-1995024186-A1 SULFONAMIDE DERIVATIVES AND THEIR USE PHARMACOPEIA, INC. (US) 1995-09-14 WO disclosed
US-5230998-A Viricides AIDA DEVELOPMENT CORPORATION 1993-07-27 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-11628221-B2 Peptide linker and combination for prodrugs activated by prostate-specific antigen KLK3, DNPEP, FOLH1 KMT2A 3018/4885MMP9 502/4885MMP2 196/4885
US-11129901-B2 Peptide-linked ester prodrugs activated by prostate-specific antigen ACP3, KLK3, DNPEP KMT2A 3205/4885MMP9 729/4885MMP2 237/4885

“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.