SCHEMBL21497093

SCHEMBL21497093

COc1ccc2c(c1C(=O)O)OB(O)CC2CNC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 14/20 0.43
▸ MTNR1B P49286 13/20 0.43
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.35
▸ NQO2 P16083 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
SCHEMBL21497100 0.86 CA12 (0.36) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL27268842 0.85 CA9 (0.41) CA12CA1CA2CA7CA9
SCHEMBL21503787 0.85 CA2 (0.41) CA12CA1CA2CA7CA9
SCHEMBL21497094 0.85 CA2 (0.41) CA12CA1CA2CA7CA9
SCHEMBL21497086 0.85 CA2 (0.41) CA12CA1CA2CA7CA9
SCHEMBL21497099 0.84 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL21497091 0.84 CA1 (0.40) CA12CA1CA2CA7CA9
SCHEMBL21497098 0.83 CA2 (0.39) CA12CA1CA2CA7CA9
SCHEMBL27270456 0.83 CA2 (0.39) CA12CA1CA2CA7CA9
SCHEMBL21497095 0.79 CA12 (0.35) CA12CA1CA2CA7CA9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12016868-B2 Boronic acid derivatives and therapeutic uses thereof QPEX BIOPHARMA, INC. (US) 2024-06-25 — — US disclosed
US-12016868-B2 Boronic acid derivatives and therapeutic uses thereof QPEX BIOPHARMA, INC. (US) 2024-06-25 — — US disclosed
EP-3781576-B1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA INC (US) 2024-06-12 — — EP disclosed
US-20210361682-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA, INC. 2021-11-25 — — US disclosed
EP-3781576-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA, INC. (US) 2021-02-24 — — EP disclosed
WO-2019204419-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF THE MEDICINES COMPANY (SAN DIEGO), LLC (US) 2019-10-24 — — WO disclosed
WO-2019204419-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF THE MEDICINES COMPANY (SAN DIEGO), LLC (US) 2019-10-24 — — 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 (2 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-12016868-B2 Boronic acid derivatives and therapeutic uses thereof BCL6B, BCL6, BTD MTNR1A 1916/4885MTNR1B 1124/4885CA12 220/4885
US-20210361682-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF BCL6B, BCL6, BTD MTNR1A 1916/4885MTNR1B 1124/4885CA12 220/4885

“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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