SCHEMBL20235809

SCHEMBL20235809

CCNC(C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)C(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 5/20 0.47
▸ PRSS1 P07477 2/20 0.46
▸ NMT2 O60551 1/20 0.41
▸ NMT1 P30419 1/20 0.41
▸ PCSK6 P29122 1/20 0.40
▸ MMP3 P08254 5/20 0.39
▸ MMP9 P14780 3/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ OPRK1 P41145 1/20 0.36
▸ CTSL P07711 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
SCHEMBL20235799 0.90 FURIN (0.47) FURINPRSS1NMT2NMT1PCSK6
SCHEMBL16231521 0.83 NMT1 (0.42) FURINPRSS1NMT2NMT1SIRT6
SCHEMBL20235792 0.83 FURIN (0.36) FURINPRSS1MMP3MMP9
SCHEMBL14932624 0.82 FURIN (0.49) FURINPRSS1NMT2NMT1PCSK6
SCHEMBL27361376 0.81 SIRT6 (0.44) FURINPRSS1NMT2NMT1PCSK6
SCHEMBL14932588 0.78 FURIN (0.40) FURINPRSS1MMP3MMP9SIRT6
SCHEMBL20235517 0.78 FURIN (0.41) FURINPRSS1PCSK6SIRT6SIRT1
SCHEMBL23105876 0.78 SIRT6 (0.39) FURINNMT2NMT1SIRT6SIRT1
SCHEMBL20235751 0.77 NMT2 (0.41) FURINPRSS1NMT2NMT1SIRT6
SCHEMBL30718965 0.77 ERAP2 (0.44) FURINPRSS1NMT2NMT1OPRK1

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 FURIN 354/4885PRSS1 83/4885NMT2 1157/4885
US-10626438-B2 Fluorescent substrates for determining lysine modifying enzyme activity KDM1A, MAN2B1, KDM3A FURIN 354/4885PRSS1 83/4885NMT2 1157/4885

“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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