SCHEMBL20202835

SCHEMBL20202835

CNC(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.44
KIF11 P52732 15/20 0.43
SIRT2 Q8IXJ6 1/20 0.39
DNMT1 P26358 1/20 0.38
AAK1 Q2M2I8 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
SCHEMBL21084940 0.91 MMP13 (0.42) MMP13KIF11SIRT2DNMT1
SCHEMBL21084941 0.91 MMP13 (0.42) MMP13KIF11SIRT2DNMT1
SCHEMBL21084966 0.91 MMP13 (0.42) MMP13KIF11SIRT2DNMT1
SCHEMBL21084958 0.88 KIF11 (0.49) KIF11DNMT1
SCHEMBL20185747 0.88 KIF11 (0.49) KIF11DNMT1
SCHEMBL8370224 0.88 KIF11 (0.49) KIF11DNMT1
SCHEMBL20202843 0.87 KIF11 (0.48) KIF11DNMT1
SCHEMBL20185753 0.85 KIF11 (0.45) KIF11DNMT1
SCHEMBL20185750 0.85 KIF11 (0.45) KIF11DNMT1
SCHEMBL8416048 0.83 KIF11 (0.42) MMP13KIF11SIRT2DNMT1

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-20180147250-A1 SYNTHETIC SUBSTRATES FOR ENZYMES THAT CATALYZE REACTIONS OF MODIFIED CYSTEINES AND RELATED METHODS THE UNIVERSITY OF CHICAGO 2018-05-31 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-20180147250-A1 SYNTHETIC SUBSTRATES FOR ENZYMES THAT CATALYZE REACTIONS OF MODIFIED CYSTEINES AND RELATED METHODS DNPEP, PTMS, CTH MMP13 823/4885KIF11 4826/4885SIRT2 2756/4885

“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.