SCHEMBL7413708

SCHEMBL7413708

CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.71
CTSS P25774 1/20 0.71
CTSK P43235 1/20 0.71
TACR1 P25103 2/20 0.68
MAPT P10636 2/20 0.67
TP53 P04637 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.65
ACE P12821 1/20 0.64
ECE1 P42892 2/20 0.61
CCKBR P32239 3/20 0.60
SSTR3 P32745 1/20 0.60
SCN9A Q15858 1/20 0.58
P4HB P07237 1/20 0.58
GAA P10253 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL2727405 1.00 CTSL (0.71) CTSLCTSSCTSKTACR1MAPT
SCHEMBL2727403 1.00 CTSL (0.71) CTSLCTSSCTSKTACR1MAPT
SCHEMBL12267036 0.92 CTSL (0.72) CTSLCTSSCTSKTACR1MAPT
SCHEMBL4849843 0.92 CTSL (0.72) CTSLCTSSCTSKTACR1MAPT
SCHEMBL15586960 0.91 CTSL (0.68) CTSLCTSSCTSKTACR1MAPT
SCHEMBL22133112 0.91 CCKBR (0.73) CTSLCTSSCTSKMAPTTP53
SCHEMBL1486167 0.90 ACE (0.77) CTSLCTSSCTSKTACR1MAPT
SCHEMBL29367687 0.90 ACE (0.77) CTSLCTSSCTSKTACR1MAPT
SCHEMBL30976323 0.90 ACE (0.77) CTSLCTSSCTSKTACR1MAPT
SCHEMBL1003555 0.90 ACE (0.77) CTSLCTSSCTSKTACR1MAPT

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777106-A Small molecular fluorescent probe based on tryptophan butyrylcholine esterase inhibitor and preparation method and application thereof 河南大学 2024-03-29 CN claimed
US-11939398-B2 Modified peptides for use in treating neurodegenerative disorders NEURO-BIO LTD (GB) 2024-03-26 US disclosed
CN-109640972-B Modified peptides for the treatment of neurodegenerative disorders 神经生物有限公司 2023-05-26 CN disclosed
EP-3500252-B1 MODIFIED PEPTIDES FOR USE IN TREATING NEURODEGENERATIVE DISORDERS NEURO BIO LTD (GB) 2022-11-02 EP disclosed
EP-3407977-B1 DIAGNOSTIC AND PROGNOSTIC METHODS FOR CANCER AND METASTATIC DISEASE, AND BIOMARKERS FOR THESE CONDITIONS NEURO BIO LTD (GB) 2022-10-19 EP disclosed
US-11287416-B2 Cancer NEURO-BIO LTD (GB) 2022-03-29 US disclosed
WO-2020131282-A1 MITOCHONDRIA-TARGETING PEPTIDES STEALTH BIOTHERAPEUTICS CORP. (MC) 2020-06-25 WO disclosed
US-5780498-A PEPTIDE DERIVATIVES FOR CARDIOVASCULAR AND BRAIN DISORDERS CIBA-GEIGY JAPAN LIMITED (JP) 1998-07-14 US disclosed
WO-1995012611-A1 ENDOTHELIN RECEPTOR ANTAGONISTS JAPAT LTD. (CH) 1995-05-11 WO disclosed
US-5414013-A Enzyme inhibitors E. R. SQUIBB & SONS, INC. (US) 1995-05-09 US disclosed
US-5414017-A Cardiovascular agents E. R. SQUIBB & SONS, INC. (US) 1995-05-09 US disclosed
EP-0449523-B1 Mercapto- or acylthio-trifluoromethyl amide derivatives and their use SQUIBB & SONS INC (US) 1994-08-17 EP disclosed
US-5223516-A Endopeptidase inhibitors E. R. SQUIBB & SONS, INC. (US) 1993-06-29 US disclosed
EP-0449523-A1 Mercapto- or acylthio-trifluoromethyl amide derivatives and their use E.R. SQUIBB & SONS, INC. (US) 1991-10-02 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 (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-11287416-B2 Cancer CD44, MKI67, TP53 CTSL 867/4885CTSS 1138/4885CTSK 650/4885
US-11939398-B2 Modified peptides for use in treating neurodegenerative disorders IAPP, NLN, APP CTSL 644/4885CTSS 879/4885CTSK 381/4885

“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.