SCHEMBL119044

SCHEMBL119044

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

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.57
KMT2A Q03164 2/20 0.54
MDM4 O15151 2/20 0.54
TP53 P04637 2/20 0.54
EPHX2 P34913 1/20 0.51
MDM2 Q00987 2/20 0.48

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
SCHEMBL26160451 1.00 CASP3 (0.57) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29446045 1.00 CASP3 (0.57) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29356265 1.00 CASP3 (0.57) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29401309 1.00 CASP3 (0.57) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29564442 1.00 CASP3 (0.57) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL119043 1.00 CASP3 (0.57) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29349978 1.00 CASP3 (0.57) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL178736 1.00 CASP3 (0.57) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29508222 1.00 CASP3 (0.57) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29446029 1.00 CASP3 (0.57) CASP3KMT2AMDM4TP53EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119591674-A Cyclohexapeptide and preparation method and application thereof 陕西未来多肽生物科技有限公司 2025-03-11 CN claimed
WO-2024017317-A1 HER2 TARGETING PEPTIDE MOLECULE AND USE THEREOF 中国科学院上海药物研究所 2024-01-25 WO claimed
CN-117430670-A HER2 targeting peptide molecule and application thereof 中国科学院上海药物研究所 2024-01-23 CN claimed
CN-116789731-A Preparation method of short peptide Fmoc-L-Ala-L-Ala-OH 成都郑源生化科技有限公司 2023-09-22 CN claimed
US-20230242572-A1 a-CARBONYL ALKENYL ESTER PREPARATION METHOD THEREFOR AND APPLICATION THEREOF JIANGXI NORMAL UNIVERSITY (CN) 2023-08-03 US claimed
CN-109824622-B Prodrug forming nano structure in cell to kill cancer cell and its prepn 中国科学技术大学 2022-12-30 CN claimed
US-20220289811-A1 A FORMULATION OF INSULIN BASED ON CRYSTAL-SEEDING IN HYDROGELS AND METHOD THEREOF LAMARK BIOTECH PVT LTD (IN) 2022-09-15 US claimed
CN-113072620-B PD-1 targeting peptide with analgesic activity, and synthesis method and application thereof 南通大学 2022-07-05 CN claimed
EP-4013778-A1 A FORMULATION OF INSULIN BASED ON CRYSTAL-SEEDING IN HYDROGELS AND METHOD THEREOF Lamark Biotech PVT Limited (IN) 2022-06-22 EP claimed
CN-113527416-A Preparation method of nitroreductase responsive amino acid and tumor hypoxia fluorescent probe 南开大学 2021-10-22 CN claimed
WO-2021033066-A1 A FORMULATION OF INSULIN BASED ON CRYSTAL-SEEDING IN HYDROGELS AND METHOD THEREOF LAMARK BIOTECH PVT LIMITED (IN) 2021-02-25 WO claimed
CN-112159461-A Synthesis method of cetrorelix 开封明仁药业有限公司 2021-01-01 CN claimed
CN-112110834-A Modified hydrophobic auxiliary material and preparation method and application thereof 浙江智达药业有限公司 2020-12-22 CN claimed
CN-101224306-B Folic acid-polypeptide compound-mediated targeting anti-tumor prodrug and preparing method thereof UNIV SUN YAT SEN 2011-04-20 CN claimed
EP-1685134-B1 NOVEL CHELIDONINE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF FOR PRODUCING PHARMACEUTICAL AGENTS SALAMA ZOSER B NAT RER DR (DE) 2009-02-11 EP claimed
US-20080039483-A1 Novel Chelidonine Derivatives, Methods for the Production Thereof, and Use Thereof For Producing Pharmaceutical Agents SALAMA ZOSER B 2008-02-14 US claimed
EP-1212348-A2 PURIFICATION AND ANALYSIS OF CYCLIC PEPTIDE LIBRARIES, AND COMPOSITIONS THEREOF Consensus Pharmaceuticals, Inc. (US) 2002-06-12 EP claimed
US-20020019061-A1 PURIFICATION AND ANALYSIS OF CYCLIC PEPTIDE LIBRARIES, AND COMPOSITIONS THEREOF IWA, LLC 2002-02-14 US claimed
WO-2001016160-A2 PURIFICATION AND ANALYSIS OF CYCLIC PEPTIDE LIBRARIES, AND COMPOSITIONS THEREOF CONSENSUS PHARMACEUTICALS, INC. (US) 2001-03-08 WO claimed
EP-0357750-B1 URETHANE-PROTECTED AMINO ACID-N-CARBOXYANHYDRIDES BIORESEARCH INC (US) 1994-07-13 EP claimed

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-20080039483-A1 Novel Chelidonine Derivatives, Methods for the Production Thereof, and Use Thereof For Producing Pharmaceutical Agents KIT, MKI67, MCL1 CASP3 314/4885KMT2A 1448/4885MDM4 3248/4885
US-20230242572-A1 a-CARBONYL ALKENYL ESTER PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ACSL1, ACSL4, WEE1 CASP3 3706/4885KMT2A 3061/4885MDM4 3883/4885

“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.