SCHEMBL23200864

SCHEMBL23200864

COc1cc(B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)c(OC)c(C(=O)O)c1OC

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 11/20 0.43
▸ CXCR2 P25025 1/20 0.37
▸ PSMB5 P28074 5/20 0.34
▸ F2 P00734 2/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ PRSS1 P07477 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
SCHEMBL23200947 0.88 PREP (0.40) PREPCXCR2PSMB5F2PRSS1
SCHEMBL23576452 0.82 PREP (0.41) PREPCXCR2PSMB5F2PSEN1
SCHEMBL2787596 0.81 PREP (0.45) PREPCXCR2PSMB5F2PSEN1
SCHEMBL20571080 0.79 PREP (0.44) PREPCXCR2PSMB5F2PRSS1
SCHEMBL21911461 0.79 PREP (0.44) PREPCXCR2PSMB5F2PRSS1
SCHEMBL23200663 0.78 PREP (0.40) PREPCXCR2PSMB5F2PRSS1
SCHEMBL23200672 0.74 PSMB5 (0.39) PREPCXCR2PSMB5F2PRSS1
SCHEMBL20571176 0.74 PSMB5 (0.39) PREPCXCR2PSMB5F2PRSS1
SCHEMBL23200757 0.74 PREP (0.44) PREPCXCR2PSMB5F2PRSS1
SCHEMBL23414423 0.74 PREP (0.44) PREPCXCR2PSMB5F2PRSS1

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
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. 2021-07-01 — — US disclosed
EP-3802551-A1 PENICILLIN-BINDING PROTEIN INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2021-04-14 — — EP 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-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL PREP 6/4885CXCR2 2165/4885PSMB5 1371/4885

“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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