SCHEMBL30918318

SCHEMBL30918318

CC(C)(C)OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cccnc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 5/20 0.53
▸ CTSB P07858 5/20 0.53
▸ ADORA3 P0DMS8 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ MME P08473 2/20 0.46
▸ ECE1 P42892 2/20 0.46
▸ REN P00797 3/20 0.43
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ ACE P12821 1/20 0.42

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
SCHEMBL30918356 0.90 CTSL (0.49) CTSLCTSBADORA3ADORA2AADORA2B
SCHEMBL27428946 0.90 CTSL (0.49) CTSLCTSBADORA3ADORA2AADORA2B
SCHEMBL27428889 0.90 CTSL (0.48) CTSLCTSBADORA3ADORA2AADORA2B
SCHEMBL27428796 0.88 MME (0.54) CTSLADORA3ADORA2AADORA2BADORA1
SCHEMBL30918338 0.88 CTSL (0.55) CTSLCTSBMMEECE1CTSS
SCHEMBL30918343 0.87 BACE1 (0.46) CTSLCTSBREN
SCHEMBL5972669 0.82 MME (0.55) CTSLCTSBMMEECE1CTSS
SCHEMBL4958111 0.82 MME (0.55) CTSLCTSBMMEECE1CTSS
SCHEMBL4576533 0.80 CTSB (0.59) CTSLCTSBCTSSCTSK
SCHEMBL30958909 0.80 BACE1 (0.39) CTSLCTSBREN

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025243217-A1 CRYSTAL FORMS OF PEPTIDE MOLECULES JANSSEN PHARMACEUTICA NV (BE) 2025-11-27 — — WO disclosed
EP-4622991-A2 SYNTHESIS OF A CYCLIC PEPTIDE Janssen Pharmaceutica NV (BE) 2025-10-01 — — EP disclosed
US-20240218014-A1 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-07-04 — — 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-20240218014-A1 SYNTHESIS OF A CYCLIC PEPTIDE VIP, QPCT, PTMS CTSL 743/4885CTSB 1288/4885ADORA3 4732/4885

“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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