SCHEMBL5899730

SCHEMBL5899730

COc1ccc(B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)c(OC)n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 11/20 0.40
▸ CXCR2 P25025 1/20 0.37
▸ F2 P00734 4/20 0.32
▸ EGFR P00533 1/20 0.32
▸ F7 P08709 1/20 0.32
▸ FAP Q12884 1/20 0.32
▸ PSMB5 P28074 2/20 0.31

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
SCHEMBL6807355 1.00 PREP (0.40) PREPCXCR2F2EGFRF7
SCHEMBL5899436 1.00 PREP (0.40) PREPCXCR2F2EGFRF7
SCHEMBL12960965 0.71 CXCR2 (0.42) PREPCXCR2F2EGFRPSMB5
SCHEMBL16075596 0.71 CXCR2 (0.42) PREPCXCR2F2EGFRPSMB5
SCHEMBL521352 0.71 POLB (0.40) EGFR
SCHEMBL30606414 0.71 POLB (0.40) EGFR
SCHEMBL13720661 0.71 PREP (0.48) PREPCXCR2F2PSMB5
SCHEMBL12721154 0.71 PREP (0.48) PREPCXCR2F2PSMB5
SCHEMBL21012636 0.70 PREP (0.42) PREPCXCR2PSMB5
SCHEMBL2787596 0.70 PREP (0.45) PREPCXCR2F2PSMB5

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-20040133028-A1 Hydroboronation process COMMONWEALTH SCIENTIFIC 2004-07-08 — — US claimed
US-6680401-B1 BORON COMPOUNDS SUCH AS 4-(METHOXYMETHYL)-1,3,2-DIOXABOROLANE, USED AS COUPLERS OR CHEMICAL INTERMEDIATES FOR DRUGS, PESTICIDES OR IN COMBINATORIAL CHEMISTRY COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-01-20 — — US claimed
US-7122694-B2 Hydroboronation process BORON MOLECULAR PTY LIMITED (AU) 2006-10-17 — — US disclosed
US-20040133028-A1 Hydroboronation process COMMONWEALTH SCIENTIFIC 2004-07-08 — — US disclosed
EP-1127060-B1 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2004-04-07 — — EP disclosed
US-6680401-B1 BORON COMPOUNDS SUCH AS 4-(METHOXYMETHYL)-1,3,2-DIOXABOROLANE, USED AS COUPLERS OR CHEMICAL INTERMEDIATES FOR DRUGS, PESTICIDES OR IN COMBINATORIAL CHEMISTRY COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-01-20 — — 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-20040133028-A1 Hydroboronation process ALKBH3, HPD, HVCN1 PREP 3296/4885CXCR2 1161/4885F2 2525/4885

“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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