SCHEMBL22973017

SCHEMBL22973017

Nc1cccc2c(NC(=O)CS)cccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 6/20 0.49
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
HDAC3 O15379 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
NCOR2 Q9Y618 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
CDC25A P30304 1/20 0.46
CDC25C P30307 1/20 0.46
NPC1 O15118 1/20 0.45

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
SCHEMBL22973000 0.87 ALDH1A1 (0.53) CDC25BALDH1A1POLBHSD17B1HSD17B2
SCHEMBL29209745 0.83 ALDH1A1 (0.51) CDC25BALDH1A1POLBHSD17B1HSD17B2
SCHEMBL7933998 0.81 ALDH1A1 (0.55) CDC25BALDH1A1POLBHSD17B2MAPT
SCHEMBL7929898 0.79 MAPT (0.68) ALDH1A1POLBNPC1RAB9AMAPT
SCHEMBL11290401 0.79 CDC25B (0.58) CDC25BALDH1A1HSD17B1HSD17B2HDAC3
SCHEMBL22973013 0.78 FNTA (0.52) CDC25BHSD17B1HSD17B2CDC25ACDC25C
SCHEMBL22973012 0.78 FNTA (0.52) CDC25BHSD17B1HSD17B2CDC25ACDC25C
SCHEMBL11315901 0.77 RXFP1 (0.54) CDC25BALDH1A1POLBHSD17B1HSD17B2
SCHEMBL30000522 0.77 RXFP1 (0.54) CDC25BALDH1A1POLBHSD17B1HSD17B2
SCHEMBL7935540 0.73 MAPT (0.47) ALDH1A1POLBHDAC3HDAC1HDAC2

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 CDC25B 1321/4885ALDH1A1 3980/4885POLB 4290/4885
US-11905236-B2 Dynamic combinatorial library based on pseudopeptides and its use for the detection of cysteine and other biothiols PTMS, LNPEP, CTH CDC25B 1321/4885ALDH1A1 3980/4885POLB 4290/4885

“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.