SCHEMBL23868502

SCHEMBL23868502

CN[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NC(CC(=O)O)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GNPAT O15228 1/20 0.41
▸ NMT2 O60551 1/20 0.40
▸ NMT1 P30419 1/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.40
▸ FOLH1 Q04609 1/20 0.40
▸ FURIN P09958 7/20 0.39
▸ TLR2 O60603 1/20 0.38
▸ SIRT6 Q8N6T7 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ ERAP2 Q6P179 1/20 0.37
▸ ERAP1 Q9NZ08 1/20 0.37
▸ LNPEP Q9UIQ6 1/20 0.37

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
SCHEMBL13402927 0.87 NMT2 (0.45) GNPATNMT2NMT1SIRT5FURIN
SCHEMBL10169222 0.86 ECE1 (0.43) GNPAT
SCHEMBL13402926 0.85 NMT2 (0.45) GNPATNMT2NMT1SIRT5FURIN
SCHEMBL13402932 0.84 NMT2 (0.44) GNPATNMT2NMT1SIRT5FURIN
SCHEMBL13402935 0.83 NMT2 (0.43) GNPATNMT2NMT1SIRT5FOLH1
SCHEMBL13402928 0.82 TLR2 (0.48) NMT2NMT1SIRT5FURINTLR2
SCHEMBL28497207 0.82 FOLH1 (0.54) GNPATNMT2NMT1FOLH1SIRT6
SCHEMBL29514694 0.81 FURIN (0.49) GNPATSIRT5FURIN
SCHEMBL13402921 0.81 TLR2 (0.48) NMT2NMT1SIRT5FURINTLR2
SCHEMBL10168670 0.80 NMT2 (0.44) NMT2NMT1SIRT5TLR2

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-20210299210-A2 HETEROTANDEM BICYCLIC PEPTIDE COMPLEXES BICYCLETX LIMITED (GB) 2021-09-30 — — 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-20210299210-A2 HETEROTANDEM BICYCLIC PEPTIDE COMPLEXES TIMCC, TAP1, CD81 GNPAT 4476/4885NMT2 264/4885NMT1 365/4885

“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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