SCHEMBL27433906

SCHEMBL27433906

COC(=O)C(Cc1ccc(OCCNC(=O)OC(C)(C)C)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=O)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)SCNC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 1/20 0.40
▸ PSMB9 P28065 1/20 0.40
▸ PSMB5 P28074 1/20 0.40
▸ PAX8 Q06710 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ TLR2 O60603 3/20 0.38
▸ TLR1 Q15399 1/20 0.38
▸ PTPN1 P18031 3/20 0.37
▸ ITGB3 P05106 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ PTPN22 Q9Y2R2 1/20 0.37

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
SCHEMBL27428823 1.00 PSMB8 (0.40) PSMB8PSMB9PSMB5PAX8TDP1
SCHEMBL27429188 0.93 ITGB3 (0.38) CA1CA2PTPN1ITGB3ITGA2B
SCHEMBL27428989 0.90 CCKBR (0.40) PSMB8PSMB9PSMB5
SCHEMBL27434029 0.90 CCKBR (0.40) PSMB8PSMB9PSMB5
SCHEMBL27433823 0.88 CA1 (0.36) CA1CA2TLR2TLR1
SCHEMBL27433897 0.87 PSMB8 (0.42) PSMB8PSMB9PSMB5PAX8TDP1
SCHEMBL27389363 0.84 CA1 (0.42) PAX8TDP1CA1CA2PTPN1
SCHEMBL27433907 0.84 CA1 (0.42) PAX8TDP1CA1CA2PTPN1
SCHEMBL30918335 0.84 PTPN1 (0.42) TLR2PTPN1
SCHEMBL27428871 0.83 CCKBR (0.37) —

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-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 PSMB8 1489/4885PSMB9 1526/4885PSMB5 1767/4885

“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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