SCHEMBL20235751

SCHEMBL20235751

CCC(C)C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NMT2 O60551 1/20 0.41
▸ NMT1 P30419 1/20 0.41
▸ FURIN P09958 2/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ PRSS1 P07477 1/20 0.37
▸ SLC6A5 Q9Y345 1/20 0.36
▸ CACNA1B Q00975 2/20 0.35
▸ CPB2 Q96IY4 4/20 0.35
▸ TERT O14746 1/20 0.34
▸ ERAP2 Q6P179 2/20 0.34
▸ ERAP1 Q9NZ08 1/20 0.34
▸ LNPEP Q9UIQ6 1/20 0.34
▸ OPRK1 P41145 3/20 0.34
▸ TLR2 O60603 2/20 0.33

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
SCHEMBL20235716 0.89 NMT2 (0.40) NMT2NMT1FURINSIRT6SIRT1
SCHEMBL14932630 0.86 NMT2 (0.44) NMT2NMT1FURINSIRT6SIRT1
SCHEMBL20235799 0.80 FURIN (0.47) NMT2NMT1FURINSIRT6SIRT1
SCHEMBL20235576 0.79 SIRT6 (0.39) FURINSIRT6SIRT1PRSS1CACNA1B
SCHEMBL16231521 0.79 NMT1 (0.42) NMT2NMT1FURINSIRT6SIRT1
SCHEMBL12812737 0.78 SIRT6 (0.39) NMT2NMT1SIRT6SIRT1SLC6A5
SCHEMBL13811926 0.78 NMT1 (0.55) NMT2NMT1FURINPRSS1TLR2
SCHEMBL20235814 0.78 SIRT6 (0.37) NMT2NMT1FURINSIRT6SIRT1
SCHEMBL20235809 0.77 FURIN (0.47) NMT2NMT1FURINSIRT6SIRT1
SCHEMBL31652408 0.76 SLC6A5 (0.46) NMT2NMT1FURINPRSS1SLC6A5

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 NMT2 1157/4885NMT1 376/4885FURIN 354/4885
US-10626438-B2 Fluorescent substrates for determining lysine modifying enzyme activity KDM1A, MAN2B1, KDM3A NMT2 1157/4885NMT1 376/4885FURIN 354/4885

“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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