SCHEMBL23219892

SCHEMBL23219892

C=C/C=C\C(=C/C=C)B(O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PCSK9 Q8NBP7 2/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ ENPP2 Q13822 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35
▸ ORAI1 Q96D31 1/20 0.35
▸ ORAI2 Q96SN7 1/20 0.35
▸ ORAI3 Q9BRQ5 1/20 0.35
▸ TRPV6 Q9H1D0 1/20 0.35

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
SCHEMBL19772388 0.86 PCSK9 (0.35) PCSK9CA4CA6CA5ACA7
SCHEMBL20031926 0.84 PCSK9 (0.34) PCSK9CA4CA6CA5ACA7
SCHEMBL23026435 0.81 CA4 (0.30) PCSK9CA4CA6CA5ACA7
SCHEMBL21778882 0.74 — —
SCHEMBL23570765 0.73 CA4 (0.32) PCSK9CA4CA6CA5ACA7
SCHEMBL23219870 0.69 — —
SCHEMBL19380674 0.69 — —
SCHEMBL14923047 0.68 PCSK9 (0.35) PCSK9CA4CA6CA5ACA7
SCHEMBL21147723 0.66 TRPV6 (0.41) PCSK9CA4CA6CA5ACA7
SCHEMBL21033784 0.66 AKT1 (0.39) —

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-10973835-B2 Boron-containing small molecules for inhibiting activity of a receptor-like protein tyrosine phosphatase THE PENN STATE RESEARCH FOUNDATION (US) 2021-04-13 — — 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-10973835-B2 Boron-containing small molecules for inhibiting activity of a receptor-like protein tyrosine phosphatase PTPRO, PTPRR, PPP1R1B PCSK9 4734/4885CA4 2181/4885CA6 1213/4885

“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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