SCHEMBL12570554

SCHEMBL12570554

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARA Q07869 6/20 0.37
PPARG P37231 5/20 0.37
CTSK P43235 4/20 0.34
CTSS P25774 3/20 0.34
ACE P12821 1/20 0.33
PPARD Q03181 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL13660687 1.00 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL10048032 1.00 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL7871486 0.85 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL17995262 0.85 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL22398849 0.85 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL25272340 0.83 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL13710929 0.83 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL7268530 0.83 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL13711119 0.83 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL8486600 0.83 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8

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-20250332300-A1 HER2 TARGETING CYCLIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2025-10-30 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
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-20230110994-A1 CONJUGATES UNDERGOING INTRAMOLECULAR REARRANGEMENTS ASCENDIS PHARMA A/S (DK) 2023-04-13 US disclosed
US-20230056969-A1 METHOD FOR SYNTHESIZING PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-02-23 US disclosed
US-20230018413-A1 HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2023-01-19 US disclosed
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2023-01-05 US disclosed
EP-4084872-A1 CONJUGATES UNDERGOING INTRAMOLECULAR REARRANGEMENTS Ascendis Pharma A/S (DK) 2022-11-09 EP disclosed
EP-4083051-A1 METHOD FOR SYNTHESIZING PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-11-02 EP disclosed
CN-115175738-A Conjugates undergoing intramolecular rearrangement 阿森迪斯药物股份有限公司 2022-10-11 CN disclosed
US-20220305136-A1 ANTI-CTLA4 CONJUGATES ASCENDIS PHARMA GMBH (DE) 2022-09-29 US disclosed
EP-3986479-A1 ANTI-CTLA4 CONJUGATES Ascendis Pharma Oncology Division A/S (DK) 2022-04-27 EP disclosed
US-11066416-B2 Rapafucin derivative compounds and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-07-20 US disclosed
WO-2021067439-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2021-04-08 WO disclosed
US-20210094933-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2021-04-01 US disclosed
US-20200040004-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RAPAFUSYN PHARMACEUTICALS, INC. 2020-02-06 US disclosed
US-7960578-B2 Method for the synthesis of peptides without solvent CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2011-06-14 US disclosed
US-20100016631-A1 METHOD FOR THE SYNTHESIS OF PEPTIDES WITHOUT SOLVENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE(CNRS) (FR) 2010-01-21 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 (10 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-11066416-B2 Rapafucin derivative compounds and methods of use thereof RICTOR, FKBP14, MTOR CYP2D6 3388/4885HDAC3 2574/4885HDAC1 1887/4885
US-20200040004-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR CYP2D6 3388/4885HDAC3 2574/4885HDAC1 1887/4885
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR CYP2D6 3388/4885HDAC3 2574/4885HDAC1 1887/4885
US-20230056969-A1 METHOD FOR SYNTHESIZING PEPTIDE COMPOUND VIP, NGLY1, NPPA CYP2D6 4754/4885HDAC3 4619/4885HDAC1 4598/4885
US-20210094933-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR CYP2D6 3388/4885HDAC3 2574/4885HDAC1 1887/4885
US-20230110994-A1 CONJUGATES UNDERGOING INTRAMOLECULAR REARRANGEMENTS BCR, DHFR, ABL1 CYP2D6 44/4885HDAC3 1088/4885HDAC1 3288/4885
US-20100016631-A1 METHOD FOR THE SYNTHESIS OF PEPTIDES WITHOUT SOLVENT NRDC, NPPA, RTF1 CYP2D6 1691/4885HDAC3 2729/4885HDAC1 3494/4885
US-20250332300-A1 HER2 TARGETING CYCLIC PEPTIDES AND CONJUGATES THEREOF ERBB2, EGFR, ERBB3 CYP2D6 4428/4885HDAC3 3736/4885HDAC1 3928/4885
US-20230018413-A1 HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS HCRTR2, HCRTR1, OXTR CYP2D6 2777/4885HDAC3 527/4885HDAC1 696/4885
US-20220305136-A1 ANTI-CTLA4 CONJUGATES CD274, PDCD1LG2, PDCD1 CYP2D6 3472/4885HDAC3 257/4885HDAC1 190/4885

“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.