SCHEMBL30918330

SCHEMBL30918330

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.43
▸ CTSB P07858 3/20 0.42
▸ CTSS P25774 3/20 0.42
▸ CTSL P07711 1/20 0.42
▸ SLC6A3 Q01959 2/20 0.41
▸ F2 P00734 1/20 0.39
▸ MDM4 O15151 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CTSK P43235 2/20 0.39
▸ ITGB1 P05556 1/20 0.38
▸ ITGA4 P13612 1/20 0.38

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
SCHEMBL31736763 0.84 ITGB1 (0.43) PTPN1CTSBCTSSCTSLSLC6A3
SCHEMBL29406248 0.81 MDM4 (0.52) PTPN1CTSBCTSSCTSLMDM4
SCHEMBL29370428 0.81 MDM4 (0.52) PTPN1CTSBCTSSCTSLMDM4
SCHEMBL29385767 0.81 MDM4 (0.52) PTPN1CTSBCTSSCTSLMDM4
SCHEMBL3736523 0.81 MDM4 (0.52) PTPN1CTSBCTSSCTSLMDM4
SCHEMBL1514663 0.81 MDM4 (0.52) PTPN1CTSBCTSSCTSLMDM4
SCHEMBL799706 0.81 MDM4 (0.52) PTPN1CTSBCTSSCTSLMDM4
SCHEMBL29400401 0.81 MDM4 (0.52) PTPN1CTSBCTSSCTSLMDM4
SCHEMBL29410226 0.81 MDM4 (0.52) PTPN1CTSBCTSSCTSLMDM4
SCHEMBL30918333 0.81 PTPN1 (0.40) PTPN1CTSBCTSSCTSLMDM4

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 3747/4885CTSB 1288/4885CTSS 1182/4885

“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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