SCHEMBL19853086

SCHEMBL19853086

COc1c(B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)cccc1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 10/20 0.44
▸ PSMB5 P28074 6/20 0.41
▸ CXCR2 P25025 1/20 0.40
▸ F2 P00734 3/20 0.37
▸ PRSS1 P07477 3/20 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
SCHEMBL2772055 1.00 PREP (0.44) PREPPSMB5CXCR2F2PRSS1
SCHEMBL2790529 0.88 PREP (0.47) PREPPSMB5CXCR2F2
SCHEMBL2788790 0.87 PREP (0.44) PREPPSMB5CXCR2F2
SCHEMBL21911818 0.86 PSMB5 (0.39) PREPPSMB5CXCR2F2PRSS1
SCHEMBL20571176 0.86 PSMB5 (0.39) PREPPSMB5CXCR2F2PRSS1
SCHEMBL23200672 0.86 PSMB5 (0.39) PREPPSMB5CXCR2F2PRSS1
SCHEMBL21955866 0.86 PREP (0.38) PREPPSMB5CXCR2F2PRSS1
SCHEMBL20571080 0.85 PREP (0.44) PREPPSMB5CXCR2F2PRSS1
SCHEMBL21911461 0.85 PREP (0.44) PREPPSMB5CXCR2F2PRSS1
SCHEMBL23200757 0.84 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11560392-B2 Boron-containing compounds VenatoRx Pharmaceuticals, Inc. (US) 2023-01-24 — — US disclosed
EP-3494121-B1 BORON-CONTAINING COMPOUNDS VENATORX PHARMACEUTICALS INC (US) 2021-10-06 — — EP disclosed
US-20210163506-A1 BORON-CONTAINING COMPOUNDS SNAPDRAGON CHEMISTRY, INC. 2021-06-03 — — US disclosed
US-10889600-B2 Boron-containing compounds VenatoRx Pharmaceuticals, Inc. (US) 2021-01-12 — — US disclosed
US-20200181174-A1 BORON-CONTAINING COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-06-11 — — US disclosed
WO-2018027062-A1 BORON-CONTAINING COMPOUNDS VenatoRx Pharmaceuticals, Inc. (US) 2018-02-08 — — WO 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 (4 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-11560392-B2 Boron-containing compounds BCL6B, BCL6, BCCIP PREP 2538/4885PSMB5 2347/4885CXCR2 557/4885
US-10889600-B2 Boron-containing compounds BCL6B, BCL6, BCCIP PREP 2538/4885PSMB5 2347/4885CXCR2 557/4885
US-20200181174-A1 BORON-CONTAINING COMPOUNDS BCL6B, BCL6, BCCIP PREP 2538/4885PSMB5 2347/4885CXCR2 557/4885
US-20210163506-A1 BORON-CONTAINING COMPOUNDS BCL6B, BCL6, BCCIP PREP 2538/4885PSMB5 2347/4885CXCR2 557/4885

“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.

Send feedback