SCHEMBL20235576

SCHEMBL20235576

CCCC(C)C(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ CACNA1B Q00975 2/20 0.38
▸ CAPN1 P07384 3/20 0.37
▸ FOLH1 Q04609 1/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.34
▸ FURIN P09958 2/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PSMB5 P28074 2/20 0.33
▸ PAOX Q6QHF9 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ MMP3 P08254 2/20 0.32
▸ MMP9 P14780 2/20 0.32
▸ MMP8 P22894 1/20 0.32
▸ REN P00797 1/20 0.32
▸ MMP1 P03956 1/20 0.32
▸ BIRC2 Q13490 1/20 0.32

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
SCHEMBL20235749 0.89 CACNA1B (0.41) SIRT6SIRT1CACNA1BCAPN1FOLH1
SCHEMBL16234102 0.87 CACNA1B (0.42) SIRT6SIRT1CACNA1BCAPN1FOLH1
SCHEMBL16234093 0.80 CACNA1B (0.41) SIRT6SIRT1CACNA1BCAPN1FURIN
SCHEMBL20235517 0.80 FURIN (0.41) SIRT6SIRT1CAPN1FOLH1SIRT5
SCHEMBL20235751 0.79 NMT2 (0.41) SIRT6SIRT1CACNA1BFURINPRSS1
SCHEMBL16231518 0.79 CAPN1 (0.39) SIRT6SIRT1CACNA1BCAPN1FOLH1
SCHEMBL16234089 0.77 FURIN (0.41) SIRT6SIRT1CAPN1FOLH1SIRT5
SCHEMBL20235704 0.77 CACNA1B (0.40) CACNA1BCAPN1FOLH1FURINPRSS1
SCHEMBL20235575 0.76 CAPN1 (0.38) SIRT6SIRT1CAPN1FOLH1SIRT5
SCHEMBL20235783 0.76 CACNA1B (0.38) CACNA1BCAPN1FURINPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10626438-B2 Fluorescent substrates for determining lysine modifying enzyme activity THE BROAD INSTITUTE, INC. (US) 2020-04-21 — — US disclosed
US-20180155760-A1 FLUORESCENT SUBSTRATES FOR DETERMINING LYSINE MODIFYING ENZYME ACTIVITY BROAD INST INC (US) 2018-06-07 — — 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 (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-20180155760-A1 FLUORESCENT SUBSTRATES FOR DETERMINING LYSINE MODIFYING ENZYME ACTIVITY KDM1A, MAN2B1, KDM3A SIRT6 691/4885SIRT1 396/4885CACNA1B 3145/4885
US-10626438-B2 Fluorescent substrates for determining lysine modifying enzyme activity KDM1A, MAN2B1, KDM3A SIRT6 691/4885SIRT1 396/4885CACNA1B 3145/4885

“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.

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