SCHEMBL5899514

SCHEMBL5899514

CC1(C)[C@@H]2C[C@H]3OB(c4ccccc4C#N)O[C@@]3(C)[C@H]1C2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 1/20 0.42
▸ PREP P48147 9/20 0.41
▸ PSMB5 P28074 5/20 0.36
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ F2 P00734 4/20 0.34
▸ PRSS1 P07477 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
SCHEMBL5899540 1.00 CXCR2 (0.42) CXCR2PREPPSMB5PSEN1PSEN2
SCHEMBL15891771 0.80 CXCR2 (0.53) CXCR2PREPPSMB5PSEN1PSEN2
SCHEMBL12721154 0.78 PREP (0.48) CXCR2PREPPSMB5PSEN1PSEN2
SCHEMBL15780083 0.78 CXCR2 (0.51) CXCR2PREPPSMB5PSEN1PSEN2
SCHEMBL15890142 0.78 CXCR2 (0.49) CXCR2PREPPSMB5PSEN1PSEN2
SCHEMBL13197066 0.75 CXCR2 (0.51) CXCR2PREPPSMB5PSEN1PSEN2
SCHEMBL12960965 0.74 CXCR2 (0.42) CXCR2PREPPSMB5F2
SCHEMBL16075596 0.74 CXCR2 (0.42) CXCR2PREPPSMB5F2
Hydrochloric Acid SCHEMBL21530370 0.73 PSMB5 (0.42) PSMB5PSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL21530367 0.73 PSMB5 (0.42) PSMB5PSEN1PSEN2APH1BNCSTN

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 CXCR2 1161/4885PREP 3296/4885PSMB5 4107/4885

“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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