SCHEMBL4112957

SCHEMBL4112957

CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.62
SCN9A Q15858 1/20 0.61
CTSL P07711 2/20 0.57
CTSS P25774 1/20 0.57
CTSK P43235 1/20 0.57
TACR1 P25103 2/20 0.57
MAPT P10636 3/20 0.56
BLM P54132 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
CYP3A4 P08684 1/20 0.56
HTR1A P08908 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56

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
SCHEMBL29804225 1.00 ACE (0.62) ACESCN9ACTSLCTSSCTSK
SCHEMBL4108869 1.00 ACE (0.62) ACESCN9ACTSLCTSSCTSK
SCHEMBL21292790 1.00 ACE (0.62) ACESCN9ACTSLCTSSCTSK
SCHEMBL22091571 0.91 SCN9A (0.69) ACESCN9ACTSLCTSSCTSK
SCHEMBL22091572 0.91 SCN9A (0.69) ACESCN9ACTSLCTSSCTSK
SCHEMBL21310053 0.90 TACR1 (0.62) ACESCN9ACTSLCTSSCTSK
SCHEMBL5123222 0.90 TACR1 (0.62) ACESCN9ACTSLCTSSCTSK
SCHEMBL5123229 0.90 TACR1 (0.62) ACESCN9ACTSLCTSSCTSK
SCHEMBL8208133 0.89 MAPT (0.63) ACESCN9ACTSLCTSSCTSK
SCHEMBL25206905 0.89 BLM (0.60) TACR1MAPTBLMNPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113087699-A Peptide-like compound and preparation method and application thereof 盐城工业职业技术学院 2021-07-09 CN claimed
US-12570606-B2 Myeloperoxidase imaging agents THE GENERAL HOSPITAL CORPORATION (US) 2026-03-10 US disclosed
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PEPTIDREAM INC (JP) 2026-01-15 US disclosed
EP-4534524-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PeptiDream Inc. (JP) 2025-04-09 EP disclosed
EP-3541431-B1 MYELOPEROXIDASE IMAGING AGENTS MASSACHUSETTS GEN HOSPITAL (US) 2024-04-17 EP disclosed
WO-2023092133-A1 STEREOSELECTIVE COVALENT LIGANDS FOR ONCOGENIC AND IMMUNOLOGICAL PROTEINS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-05-25 WO disclosed
US-20230124429-A1 Highly Efficient Myeloperoxidase Activatable Imaging Agents THE GENERAL HOSPITAL CORPORATION 2023-04-20 US disclosed
US-20230124429-A1 Highly Efficient Myeloperoxidase Activatable Imaging Agents THE GENERAL HOSPITAL CORPORATION 2023-04-20 US disclosed
CN-110177581-B Myeloperoxidase imaging agents 通用医疗公司 2023-01-03 CN disclosed
US-20220340524-A1 Myeloperoxidase Imaging Agents THE GENERAL HOSPITAL CORPORATION 2022-10-27 US disclosed
CN-1040432-C Spiro piperdines and homologs promote release of growth hormone MERCK & CO INC (US) 1998-10-28 CN disclosed
US-5578593-A RELEASING GROWTH HORMONES FOR ANIMALS MERCK & CO., INC. (US) 1996-11-26 US disclosed
EP-0662481-A1 Spiro piperidines and homologs promote release of growth hormone MERCK & CO. INC. (US) 1995-07-12 EP disclosed
CN-1092767-A Promote spiroperidol and homologue that tethelin discharges MERCK & CO INC (US) 1994-09-28 CN disclosed
US-5346898-A FOR TREATING FUNGAL INFECTIONS IN MAMMALS SCHERING CORPORATION (US) 1994-09-13 US disclosed
WO-1994019367-A1 SPIRO PIPERIDINES AND HOMOLOGS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-09-01 WO disclosed
EP-0442878-A4 DERIVATIVES OF TRYPTOPHAN AS CCK ANTAGONISTS 1991-10-23 EP disclosed
EP-0442878-A1 DERIVATIVES OF TRYPTOPHAN AS CCK ANTAGONISTS ABBOTT LABORATORIES (US) 1991-08-28 EP disclosed
WO-1989010355-A1 DERIVATIVES OF TRYPTOPHAN AS CCK ANTAGONISTS ABBOTT LABORATORIES (US) 1989-11-02 WO disclosed
EP-0336356-A2 Derivatives of tryptophan as CCK antagonists ABBOTT LABORATORIES (US) 1989-10-11 EP 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 (4 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-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF NSUN3, BCAT1, SLC43A1 ACE 1944/4885SCN9A 914/4885CTSL 1563/4885
US-20230124429-A1 Highly Efficient Myeloperoxidase Activatable Imaging Agents MPO, CAT, EPX ACE 369/4885SCN9A 4143/4885CTSL 225/4885
US-20220340524-A1 Myeloperoxidase Imaging Agents MPO, CAT, EPX ACE 149/4885SCN9A 4080/4885CTSL 226/4885
US-12570606-B2 Myeloperoxidase imaging agents MPO, CBR1, NOX1 ACE 726/4885SCN9A 1379/4885CTSL 200/4885

“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.