SCHEMBL27433823

SCHEMBL27433823

COC(=O)[C@H](CCc1ccc(OCCNC(=O)OC(C)(C)C)cc1)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)SCNC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ CA12 O43570 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ TLR2 O60603 1/20 0.35
▸ TLR1 Q15399 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ SUCNR1 Q9BXA5 1/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34

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
SCHEMBL27429188 0.93 ITGB3 (0.38) CA1CA2CA12CA9PDK2
SCHEMBL27433906 0.88 PSMB8 (0.40) CA1CA2TLR2TLR1
SCHEMBL27428823 0.88 PSMB8 (0.40) CA1CA2TLR2TLR1
SCHEMBL27429005 0.82 ITGB3 (0.43) CA1CA2CA12CA9PDK2
SCHEMBL30350505 0.76 MDM4 (0.43) —
SCHEMBL27433897 0.76 PSMB8 (0.42) CA1CA2TLR2TLR1
SCHEMBL25356527 0.75 ITGB3 (0.58) SUCNR1MDM2
SCHEMBL31369465 0.75 ITGB3 (0.58) SUCNR1MDM2
SCHEMBL2022391 0.75 ITGB3 (0.58) SUCNR1MDM2
SCHEMBL31000632 0.75 ITGB3 (0.58) SUCNR1MDM2

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 CA1 1364/4885CA2 2797/4885CA12 1550/4885

“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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