SCHEMBL2729968

SCHEMBL2729968

CN(C(=O)OCc1ccccc1)[C@@H](CC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.50
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
SYK P43405 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
FOLH1 Q04609 1/20 0.40
MAPK1 P28482 1/20 0.40
MMP13 P45452 1/20 0.40
PPARA Q07869 1/20 0.40
SLC15A1 P46059 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TPSAB1 Q15661 2/20 0.39
TPSD1 Q9BZJ3 2/20 0.39
TPSG1 Q9NRR2 2/20 0.39

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
SCHEMBL27810816 1.00 ABCB1 (0.50) ABCB1ITGB3ITGA2BL3MBTL1SYK
SCHEMBL18675299 0.91 ABCB1 (0.49) ABCB1ITGB3ITGA2BL3MBTL1SYK
SCHEMBL24733700 0.91 ABCB1 (0.49) ABCB1ITGB3ITGA2BL3MBTL1SYK
SCHEMBL23879129 0.91 ABCB1 (0.49) ABCB1ITGB3ITGA2BL3MBTL1SYK
SCHEMBL29973797 0.90 ABCB1 (0.44) ABCB1ITGB3ITGA2BL3MBTL1SYK
SCHEMBL16095581 0.88 FOLH1 (0.48) ABCB1ITGB3ITGA2BL3MBTL1SYK
SCHEMBL29401229 0.88 FOLH1 (0.48) ABCB1ITGB3ITGA2BL3MBTL1SYK
SCHEMBL16095584 0.88 FOLH1 (0.48) ABCB1ITGB3ITGA2BL3MBTL1SYK
SCHEMBL28813126 0.88 ITGB3 (0.46) ABCB1ITGB3ITGA2BALDH1A1CTSL
SCHEMBL248887 0.88 ITGB3 (0.46) ABCB1ITGB3ITGA2BALDH1A1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119350189-A Method for preparing N-methyl-N-benzyloxycarbonyl-L-aspartic acid-4-tert-butyl ester 上海农林职业技术学院 2025-01-24 CN claimed
US-20250197450-A1 METHOD FOR PRODUCING N-ALKYL AMINO ACID AND PEPTIDE INCLUDING N-ALKYL AMINO ACID CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-06-19 US disclosed
CN-119350189-A Method for preparing N-methyl-N-benzyloxycarbonyl-L-aspartic acid-4-tert-butyl ester 上海农林职业技术学院 2025-01-24 CN disclosed
CN-119350189-A Method for preparing N-methyl-N-benzyloxycarbonyl-L-aspartic acid-4-tert-butyl ester 上海农林职业技术学院 2025-01-24 CN disclosed
CN-119350189-A Method for preparing N-methyl-N-benzyloxycarbonyl-L-aspartic acid-4-tert-butyl ester 上海农林职业技术学院 2025-01-24 CN disclosed
EP-4414374-A1 METHOD FOR PRODUCING N-ALKYL AMINO ACID AND PEPTIDE INCLUDING N-ALKYL AMINO ACID Chugai Seiyaku Kabushiki Kaisha (JP) 2024-08-14 EP disclosed
WO-2023127869-A1 METHOD FOR PRODUCING N-ALKYL AMINO ACID AND PEPTIDE INCLUDING N-ALKYL AMINO ACID 中外製薬株式会社 2023-07-06 WO disclosed
US-20230056969-A1 METHOD FOR SYNTHESIZING PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-02-23 US disclosed
US-20220411462-A1 METHODS FOR PRODUCING CYCLIC COMPOUNDS COMPRISING N-SUBSTITUTED AMINO ACID RESIDUES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-12-29 US disclosed
EP-4083051-A1 METHOD FOR SYNTHESIZING PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-11-02 EP disclosed
US-20130281360-A1 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS THE SCIPPS RESEARCH INSTITUTE (US) 2013-10-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
CN-101821279-A Certain chemical entities, compositions, and methods CYTOKINETICS INC 2010-09-01 CN disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 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 (7 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 ABCB1 1608/4885ITGB3 538/4885ITGA2B 657/4885
US-20250197450-A1 METHOD FOR PRODUCING N-ALKYL AMINO ACID AND PEPTIDE INCLUDING N-ALKYL AMINO ACID NPPA, MGMT, ANPEP ABCB1 2990/4885ITGB3 4361/4885ITGA2B 4652/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ABCB1 1608/4885ITGB3 538/4885ITGA2B 657/4885
US-20220411462-A1 METHODS FOR PRODUCING CYCLIC COMPOUNDS COMPRISING N-SUBSTITUTED AMINO ACID RESIDUES NGLY1, NPPA, VIP ABCB1 3568/4885ITGB3 4867/4885ITGA2B 4885/4885
US-20230056969-A1 METHOD FOR SYNTHESIZING PEPTIDE COMPOUND VIP, NGLY1, NPPA ABCB1 4820/4885ITGB3 4884/4885ITGA2B 4877/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ABCB1 1608/4885ITGB3 538/4885ITGA2B 657/4885
US-20130281360-A1 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS SPAST, NPEPPS, SPATS2L ABCB1 949/4885ITGB3 4726/4885ITGA2B 4477/4885

“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.