SCHEMBL788895

SCHEMBL788895

CC(C)(C)OC(=O)N[C@@H](CCCCO)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.51
CTSS P25774 5/20 0.51
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC4 P56524 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC6 Q9UBN7 1/20 0.45
PPARA Q07869 2/20 0.44
PPARG P37231 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
ACE P12821 1/20 0.43

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
SCHEMBL1313516 1.00 CTSK (0.51) CTSKCTSSTDP1ALDH1A1TSHR
SCHEMBL23013538 1.00 CTSK (0.51) CTSKCTSSTDP1ALDH1A1TSHR
SCHEMBL4711467 0.95 CTSK (0.52) CTSKCTSSTDP1ALDH1A1TSHR
SCHEMBL5285944 0.95 CTSK (0.52) CTSKCTSSTDP1ALDH1A1TSHR
SCHEMBL4024795 0.95 CTSK (0.52) CTSKCTSSTDP1ALDH1A1TSHR
SCHEMBL6745774 0.93 CTSK (0.56) CTSKCTSSALDH1A1TSHRMEN1
SCHEMBL14150791 0.93 CTSK (0.56) CTSKCTSSALDH1A1TSHRMEN1
SCHEMBL6837916 0.90 CTSK (0.56) CTSKCTSSALDH1A1TSHRMEN1
Myristyl Alcohol SCHEMBL28942416 0.90 CTSK (0.59) CTSKCTSSTDP1
SCHEMBL2781378 0.88 CTSK (0.50) CTSKCTSSMEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116874803-A Antibacterial dendritic polyester polymer and preparation method and application thereof 清华大学深圳国际研究生院 2023-10-13 CN claimed
US-6335443-B1 Chemical synthesis of exochelins KEYSTONE BIOMEDICAL, INC. 2002-01-01 US claimed
EP-1105416-A1 NOVEL PROCESS FOR THE SYNTHESIS OF EXOCHELINS Keystone Biomedical, Inc. (US) 2001-06-13 EP claimed
EP-1105415-A1 CHEMICAL SYNTHESIS OF EXOCHELINS Keystone Biomedical, Inc. (US) 2001-06-13 EP claimed
US-6063919-A ESTERIFICATION OF O-DEPROTECTED DIBENZYL EXOCHELIC ACID WITH BENZYL EPI-COBACTIN, HYDROGENOLYTICALLY REMOVING THE THREE BENZYL GROUPS TO FORM EXOCHELIN 786SM(R) KEYSTONE BIOMEDICAL, INC. (US) 2000-05-16 US claimed
WO-2000009548-A1 CHEMICAL SYNTHESIS OF EXOCHELINS KEYSTONE BIOMEDICAL, INC. (US) 2000-02-24 WO claimed
WO-2000009547-A1 NOVEL PROCESS FOR THE SYNTHESIS OF EXOCHELINS KEYSTONE BIOMEDICAL, INC. (US) 2000-02-24 WO claimed
US-5952492-A REACTING A MIXTURE OF DIACID WITH DIMETHYL PIMELATE, HYDROCHLORIC ACID, METHANOL, DIBUTYL ETHER TO FORM INTERMEDIATE, ADDING O-BENZYL HYDROXYLAMINE HYDROCHLORIDE AND TRIETHYLAMINE, ADDITING DI-TERT-BUTYL DICARBONATE KEYSTONE BIOMEDICAL, INC. (US) 1999-09-14 US claimed
US-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2026-01-01 US disclosed
US-12473331-B2 Macrocyclic compounds as proteasome inhibitors CORNELL UNIVERSITY (US) 2025-11-18 US disclosed
US-20240270704-A1 AMINO ACIDS BEARING A TETRAZINE MOIETY VALANX BIOTECH GMBH (AT) 2024-08-15 US disclosed
CN-118256591-A Cyclic peptide compound having high membrane permeability and library comprising same 中外制药株式会社 2024-06-28 CN disclosed
CN-118184532-A Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound containing the amino acid, and process for producing the same 中外制药株式会社 2024-06-14 CN disclosed
EP-4347572-A1 AMINO ACIDS BEARING A TETRAZINE MOIETY VALANX Biotech GmbH (AT) 2024-04-10 EP disclosed
US-6063919-A ESTERIFICATION OF O-DEPROTECTED DIBENZYL EXOCHELIC ACID WITH BENZYL EPI-COBACTIN, HYDROGENOLYTICALLY REMOVING THE THREE BENZYL GROUPS TO FORM EXOCHELIN 786SM(R) KEYSTONE BIOMEDICAL, INC. (US) 2000-05-16 US disclosed
US-6063919-A ESTERIFICATION OF O-DEPROTECTED DIBENZYL EXOCHELIC ACID WITH BENZYL EPI-COBACTIN, HYDROGENOLYTICALLY REMOVING THE THREE BENZYL GROUPS TO FORM EXOCHELIN 786SM(R) KEYSTONE BIOMEDICAL, INC. (US) 2000-05-16 US disclosed
WO-2000009548-A1 CHEMICAL SYNTHESIS OF EXOCHELINS KEYSTONE BIOMEDICAL, INC. (US) 2000-02-24 WO disclosed
WO-2000009547-A1 NOVEL PROCESS FOR THE SYNTHESIS OF EXOCHELINS KEYSTONE BIOMEDICAL, INC. (US) 2000-02-24 WO disclosed
WO-2000009547-A1 NOVEL PROCESS FOR THE SYNTHESIS OF EXOCHELINS KEYSTONE BIOMEDICAL, INC. (US) 2000-02-24 WO disclosed
US-5952492-A REACTING A MIXTURE OF DIACID WITH DIMETHYL PIMELATE, HYDROCHLORIC ACID, METHANOL, DIBUTYL ETHER TO FORM INTERMEDIATE, ADDING O-BENZYL HYDROXYLAMINE HYDROCHLORIDE AND TRIETHYLAMINE, ADDITING DI-TERT-BUTYL DICARBONATE KEYSTONE BIOMEDICAL, INC. (US) 1999-09-14 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 (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-12473331-B2 Macrocyclic compounds as proteasome inhibitors PSMB5, PSMB1, PSMB3 CTSK 1101/4885CTSS 640/4885TDP1 2070/4885
US-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS KRAS, NRAS, HRAS CTSK 1467/4885CTSS 1044/4885TDP1 4285/4885
US-20240270704-A1 AMINO ACIDS BEARING A TETRAZINE MOIETY DNPEP, ANPEP, BCAT1 CTSK 2539/4885CTSS 3253/4885TDP1 2828/4885

“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.