SCHEMBL30538846

SCHEMBL30538846

CC(C)(C)OC(=O)CC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.49
▸ GNPAT O15228 1/20 0.48
▸ NAALAD2 Q9Y3Q0 1/20 0.47
▸ CTSC P53634 1/20 0.46
▸ CTSS P25774 2/20 0.46
▸ CTSL P07711 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ SLC7A5 Q01650 2/20 0.46
▸ LTA4H P09960 1/20 0.46
▸ MMP1 P03956 1/20 0.45
▸ MMP3 P08254 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ PPARG P37231 1/20 0.45
▸ PPARA Q07869 1/20 0.45
▸ ALPI P09923 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ XIAP P98170 1/20 0.44

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
SCHEMBL30538864 1.00 ACE (0.49) ACEGNPATNAALAD2CTSCCTSS
SCHEMBL22722647 0.91 OPRK1 (0.53) CTSCCTSSCTSLCTSBCTSK
SCHEMBL29755521 0.91 ACE (0.55) ACEGNPATNAALAD2CTSSCTSL
SCHEMBL29401136 0.88 CYP3A4 (0.44) CTSLCTSBSLC7A5
SCHEMBL29498364 0.88 ACE (0.48) ACEGNPATCTSCCTSSCTSL
SCHEMBL31255864 0.86 ACE (0.53) ACEGNPATNAALAD2CTSSCTSL
SCHEMBL31214776 0.86 GNPAT (0.60) ACEGNPATNAALAD2CTSSCTSL
SCHEMBL29755343 0.86 BACE1 (0.51) ACE
SCHEMBL30565194 0.84 NOD1 (0.40) NAALAD2CTSSCTSK
SCHEMBL31510099 0.83 CTSL (0.47) CTSLCTSKLTA4HMMP1OPRK1

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 ACE 578/4885GNPAT 3989/4885NAALAD2 1484/4885

“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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