SCHEMBL27434126

SCHEMBL27434126

COC(=O)C(Cc1ccc(OCCNC(=O)OC(C)(C)C)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@@H](N)Cc1c[nH]c2c(C)cccc12)C(C)(C)SCNC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 7/20 0.40
▸ PAX8 Q06710 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PSMB8 P28062 1/20 0.38
▸ PSMB9 P28065 1/20 0.38
▸ PSMB5 P28074 1/20 0.38
▸ CCKAR P32238 1/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 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
SCHEMBL27428984 1.00 CCKBR (0.40) CCKBRPAX8TDP1PSMB8PSMB9
SCHEMBL27429224 0.93 PAX8 (0.41) CCKBRPAX8TDP1PSMB8PSMB9
SCHEMBL27428810 0.93 NPY4R (0.36) CCKBRCCKAR
SCHEMBL27428869 0.93 NPY4R (0.36) CCKBRCCKAR
SCHEMBL27428989 0.88 CCKBR (0.40) CCKBRPSMB8PSMB9PSMB5CCKAR
SCHEMBL27434029 0.88 CCKBR (0.40) CCKBRPSMB8PSMB9PSMB5CCKAR
SCHEMBL27389363 0.85 CA1 (0.42) PAX8TDP1CA1CA2
SCHEMBL27433907 0.85 CA1 (0.42) PAX8TDP1CA1CA2
SCHEMBL27429415 0.84 CCKBR (0.40) CCKBRCCKAR
SCHEMBL27429130 0.84 KISS1R (0.34) CCKBRPSMB8PSMB9PSMB5

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 CCKBR 223/4885PAX8 4002/4885TDP1 3845/4885

“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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