SCHEMBL23344448

SCHEMBL23344448

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 3/20 0.56
HPGD P15428 2/20 0.56
MAPT P10636 2/20 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
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.38
GSK3B P49841 1/20 0.37
FAAH O00519 1/20 0.36
HPRT1 P00492 1/20 0.35
HRH4 Q9H3N8 1/20 0.35

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 0.83 KDM4E (0.56) KDM4EALDH1A1HPGDMAPTHDAC1
SCHEMBL22973009 0.83 KDM4E (0.56) KDM4EALDH1A1HPGDMAPTHDAC1
SCHEMBL28667363 0.78 ALDH1A1 (0.64) KDM4EALDH1A1HPGDMAPTHDAC1
SCHEMBL30846143 0.77 ALDH1A1 (0.72) KDM4EALDH1A1HPGDMAPTHDAC1
SCHEMBL9781616 0.74 ALDH1A1 (0.68) KDM4EALDH1A1HPGDMAPTHDAC1
SCHEMBL5054452 0.72 ALDH1A1 (1.00) KDM4EALDH1A1HPGDMAPTHDAC1
SCHEMBL10944179 0.72 ALDH1A1 (0.70) KDM4EALDH1A1HPGDMAPTHDAC1
SCHEMBL29581351 0.72 ALDH1A1 (1.00) KDM4EALDH1A1HPGDMAPTHDAC1
SCHEMBL14679256 0.72 ALDH1A1 (0.52) KDM4EALDH1A1HPGDMAPTHDAC1
SCHEMBL31613217 0.72 ALDH1A1 (0.69) KDM4EALDH1A1HPGDMAPTHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 3980/4885HPGD 1247/4885

“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.