SCHEMBL22973013

SCHEMBL22973013

Nc1cccc2c(NC(=O)C(N)CS)cccc12

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.52
FNTB P49356 3/20 0.52
CDC25B P30305 5/20 0.44
PGGT1B P53609 1/20 0.43
CDC25A P30304 1/20 0.42
CDC25C P30307 1/20 0.42
IDO1 P14902 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
MMP2 P08253 1/20 0.40

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
SCHEMBL22973012 1.00 FNTA (0.52) FNTAFNTBCDC25BPGGT1BCDC25A
SCHEMBL22973017 0.78 CDC25B (0.49) CDC25BCDC25ACDC25CNPC1RAB9A
SCHEMBL22973000 0.76 ALDH1A1 (0.53) CDC25BCDC25ACDC25CNPC1RAB9A
SCHEMBL3128229 0.75 FNTA (0.39) FNTAFNTBPGGT1B
SCHEMBL22973010 0.74 KDM4E (0.56) FNTAFNTBPGGT1BMMP2
SCHEMBL22973009 0.74 KDM4E (0.56) FNTAFNTBPGGT1BMMP2
SCHEMBL11290401 0.74 CDC25B (0.58) CDC25BCDC25ACDC25CNPC1RAB9A
SCHEMBL11315901 0.73 RXFP1 (0.54) CDC25BCDC25ACDC25CNPC1RAB9A
SCHEMBL30000522 0.73 RXFP1 (0.54) CDC25BCDC25ACDC25CNPC1RAB9A
SCHEMBL29209745 0.72 ALDH1A1 (0.51) CDC25BCDC25ACDC25CNPC1RAB9A

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 4 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
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

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 FNTA 1363/4885FNTB 1796/4885CDC25B 1321/4885
US-11905236-B2 Dynamic combinatorial library based on pseudopeptides and its use for the detection of cysteine and other biothiols PTMS, LNPEP, CTH FNTA 1363/4885FNTB 1796/4885CDC25B 1321/4885

“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.