SCHEMBL21911461

SCHEMBL21911461

COc1ccc(B2OC3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)c(OC)c1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 10/20 0.44
▸ PSMB5 P28074 5/20 0.40
▸ CXCR2 P25025 1/20 0.37
▸ F2 P00734 4/20 0.34
▸ PRSS1 P07477 4/20 0.34
▸ F7 P08709 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
SCHEMBL20571080 1.00 PREP (0.44) PREPPSMB5CXCR2F2PRSS1
SCHEMBL17337120 0.92 PREP (0.44) PREPPSMB5CXCR2F2PRSS1
SCHEMBL23414423 0.92 PREP (0.44) PREPPSMB5CXCR2F2PRSS1
SCHEMBL23200757 0.92 PREP (0.44) PREPPSMB5CXCR2F2PRSS1
SCHEMBL23200703 0.91 PSMB5 (0.39) PREPPSMB5CXCR2F2PRSS1
SCHEMBL23200947 0.90 PREP (0.40) PREPPSMB5CXCR2F2PRSS1
SCHEMBL23413644 0.89 PSMB5 (0.46) PREPPSMB5CXCR2F2PRSS1
SCHEMBL21911590 0.86 PREP (0.39) PREPPSMB5CXCR2F2PRSS1
SCHEMBL23200663 0.85 PREP (0.40) PREPPSMB5CXCR2F2PRSS1
SCHEMBL2772055 0.85 PREP (0.44) PREPPSMB5CXCR2F2PRSS1

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-20200102331-A1 PENICILLIN-BINDING PROTEIN INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-04-02 — — 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-20200102331-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL PREP 6/4885PSMB5 1371/4885CXCR2 2165/4885

“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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