SCHEMBL30918311

SCHEMBL30918311

CC(C)(C)OC(=O)CC[C@H](NC(=O)C(NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCCCO1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cccnc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.42
▸ GRB2 P62993 1/20 0.41
▸ CTSB P07858 2/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ REN P00797 1/20 0.33

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
SCHEMBL30918331 0.89 KISS1R (0.38) CTSBCTSSCTSK
SCHEMBL30918319 0.84 PTPN1 (0.38) PTPN1GRB2CTSBCTSLREN
SCHEMBL30958914 0.82 KISS1R (0.41) —
SCHEMBL30918367 0.82 BACE1 (0.41) —
SCHEMBL30918341 0.81 CTSB (0.38) PTPN1CTSBCTSSCTSK
SCHEMBL30958909 0.80 BACE1 (0.39) CTSBCTSLREN
SCHEMBL27429220 0.80 PTPN1 (0.39) PTPN1GRB2CTSBCTSL
SCHEMBL30918330 0.78 PTPN1 (0.43) PTPN1CTSBCTSLCTSSCTSK
SCHEMBL30918318 0.75 CTSL (0.53) CTSBCTSLCTSSCTSKREN
SCHEMBL29755484 0.74 PTPN1 (0.55) PTPN1

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
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 PTPN1 3747/4885GRB2 1981/4885CTSB 1288/4885

“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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