SCHEMBL22973015

SCHEMBL22973015

N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)Nc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 18/20 0.53
DNMT1 P26358 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL22973016 1.00 KIF11 (0.53) KIF11DNMT1KDM4EALDH1A1MAPT
SCHEMBL22973009 0.78 KDM4E (0.56) KDM4EALDH1A1MAPTHPGD
SCHEMBL22973010 0.78 KDM4E (0.56) KDM4EALDH1A1MAPTHPGD
SCHEMBL14920950 0.76 KIF11 (0.61) KIF11DNMT1
SCHEMBL21084947 0.72 KIF11 (0.65) KIF11DNMT1
SCHEMBL21084921 0.72 KIF11 (0.65) KIF11DNMT1
SCHEMBL21084920 0.72 KIF11 (0.65) KIF11DNMT1
SCHEMBL19542308 0.72 KIF11 (0.65) KIF11DNMT1
S-Trityl-L-Cysteine SCHEMBL768202 0.71 KIF11 (0.85) KIF11DNMT1
S-Trityl-L-Cysteine SCHEMBL768203 0.71 KIF11 (0.85) KIF11DNMT1

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 KIF11 4073/4885DNMT1 4243/4885KDM4E 4818/4885
US-11905236-B2 Dynamic combinatorial library based on pseudopeptides and its use for the detection of cysteine and other biothiols PTMS, LNPEP, CTH KIF11 4073/4885DNMT1 4243/4885KDM4E 4818/4885

“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.