SCHEMBL30538852

SCHEMBL30538852

CSCC[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 2/20 0.57
▸ ACE P12821 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ ERAP2 Q6P179 1/20 0.54
▸ ECE1 P42892 12/20 0.54

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
SCHEMBL30052904 0.92 CTSC (0.67) CTSCACEMEN1KMT2AERAP2
SCHEMBL30051220 0.90 CTSC (0.62) CTSCACEMEN1KMT2AERAP2
SCHEMBL30051511 0.90 CTSC (0.64) CTSCACEMEN1KMT2AERAP2
SCHEMBL30052005 0.90 CTSC (0.69) CTSCACEMEN1KMT2AERAP2
SCHEMBL30052793 0.89 ECE1 (0.64) CTSCACEMEN1KMT2AERAP2
SCHEMBL30051088 0.88 CTSC (0.62) CTSCACEMEN1KMT2AERAP2
SCHEMBL30052714 0.88 ACE (0.64) CTSCACEMEN1KMT2AERAP2
SCHEMBL30051716 0.88 CTSC (0.61) CTSCACEMEN1KMT2AERAP2
SCHEMBL30051770 0.87 CTSC (0.65) CTSCACEMEN1KMT2AERAP2
SCHEMBL30051830 0.87 CTSC (0.71) CTSCACEMEN1KMT2AERAP2

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-11713339-B2 Macrocyclization of peptidomimetics UNIVERSITY OF WARWICK (GB) 2023-08-01 — — 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-11713339-B2 Macrocyclization of peptidomimetics NGLY1, MAX, PTMA CTSC 138/4885ACE 578/4885MEN1 455/4885

“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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