SCHEMBL22973009

SCHEMBL22973009

N[C@@H](CS)C(=O)Nc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
FNTA P49354 3/20 0.43
FNTB P49356 3/20 0.43
PGGT1B P53609 1/20 0.41
LMNA P02545 1/20 0.38
MMP2 P08253 1/20 0.38

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
SCHEMBL22973010 1.00 KDM4E (0.56) KDM4EALDH1A1MAPTHPGDHDAC1
SCHEMBL23344448 0.83 KDM4E (0.56) KDM4EALDH1A1MAPTHPGDHDAC1
SCHEMBL22973015 0.78 KIF11 (0.53) KDM4EALDH1A1MAPTHPGD
SCHEMBL22973016 0.78 KIF11 (0.53) KDM4EALDH1A1MAPTHPGD
SCHEMBL28667363 0.78 ALDH1A1 (0.64) KDM4EALDH1A1MAPTHPGDHDAC1
SCHEMBL22973013 0.74 FNTA (0.52) FNTAFNTBPGGT1BMMP2
SCHEMBL22973012 0.74 FNTA (0.52) FNTAFNTBPGGT1BMMP2
SCHEMBL9781616 0.74 ALDH1A1 (0.68) KDM4EALDH1A1MAPTHPGDHDAC1
SCHEMBL30846143 0.74 ALDH1A1 (0.72) KDM4EALDH1A1MAPTHPGDHDAC1
Pyrene SCHEMBL28247446 0.74 PTGS1 (0.59) KDM4EALDH1A1HPGDMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11905236-B2 Dynamic combinatorial library based on pseudopeptides and its use for the detection of cysteine and other biothiols CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2024-02-20 US disclosed
EP-3779449-B1 DYNAMIC COMBINATORIAL LIBRARY BASED ON PSEUDOPEPTIDES AND ITS USE FOR THE DETECTION OF CYSTEINE AND OTHER BIOTHIOLS CONSEJO SUPERIOR INVESTIGACION (ES) 2022-02-23 EP disclosed
EP-3779449-B1 DYNAMIC COMBINATORIAL LIBRARY BASED ON PSEUDOPEPTIDES AND ITS USE FOR THE DETECTION OF CYSTEINE AND OTHER BIOTHIOLS CONSEJO SUPERIOR INVESTIGACION (ES) 2022-02-23 EP disclosed
US-20210139419-A1 DYNAMIC COMBINATORIAL LIBRARY BASED ON PSEUDOPEPTIDES AND ITS USE FOR THE DETECTION OF CYSTEINE AND OTHER BIOTHIOLS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2021-05-13 US disclosed
US-20210139419-A1 DYNAMIC COMBINATORIAL LIBRARY BASED ON PSEUDOPEPTIDES AND ITS USE FOR THE DETECTION OF CYSTEINE AND OTHER BIOTHIOLS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2021-05-13 US disclosed
EP-3779449-A2 DYNAMIC COMBINATORIAL LIBRARY BASED ON PSEUDOPEPTIDES AND ITS USE FOR THE DETECTION OF CYSTEINE AND OTHER BIOTHIOLS Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2021-02-17 EP disclosed
EP-3779449-A2 DYNAMIC COMBINATORIAL LIBRARY BASED ON PSEUDOPEPTIDES AND ITS USE FOR THE DETECTION OF CYSTEINE AND OTHER BIOTHIOLS Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2021-02-17 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-20210139419-A1 DYNAMIC COMBINATORIAL LIBRARY BASED ON PSEUDOPEPTIDES AND ITS USE FOR THE DETECTION OF CYSTEINE AND OTHER BIOTHIOLS PTMS, LNPEP, CTH KDM4E 4818/4885ALDH1A1 3980/4885MAPT 663/4885
US-11905236-B2 Dynamic combinatorial library based on pseudopeptides and its use for the detection of cysteine and other biothiols PTMS, LNPEP, CTH KDM4E 4818/4885ALDH1A1 3980/4885MAPT 663/4885

“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.