SCHEMBL18089734

SCHEMBL18089734

COc1ccc2c(c1C(=O)O)OB(O)C[C@H]2NC(=O)CSC

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ TBXAS1 P24557 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CAT P04040 1/20 0.31
▸ HDAC3 O15379 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL19886697 0.88 FPR2 (0.33) HDAC1
SCHEMBL18089739 0.88 — —
SCHEMBL19886693 0.86 CAT (0.32) CAT
SCHEMBL18089738 0.85 CAT (0.46) CAT
SCHEMBL18089423 0.81 ALDH1A1 (0.34) POLB
SCHEMBL18089740 0.81 ALDH1A1 (0.34) POLB
SCHEMBL19886698 0.77 P2RX7 (0.36) POLB
SCHEMBL18662404 0.76 CA12 (0.33) CA12CA1CA2CA7CA9
SCHEMBL17286497 0.76 CA12 (0.33) CA12CA1CA2CA7CA9
SCHEMBL21503787 0.76 CA2 (0.41) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190211037-A1 BORONIC ACID DERIVATIVES AND THEIR THERAPEUTIC USES IN ANTIMICROBIAL TREATMENT REMPEX PHARMACEUTICALS, INC. 2019-07-11 — — US disclosed
US-20180051041-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF THE MEDICINES COMPANY (SAN DIEGO), LLC 2018-02-22 — — US disclosed
WO-2016149393-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2016-09-22 — — 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-20180051041-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF BCL6B, BTD, BCL6 CA12 258/4885CA1 1317/4885CA2 287/4885
US-20190211037-A1 BORONIC ACID DERIVATIVES AND THEIR THERAPEUTIC USES IN ANTIMICROBIAL TREATMENT BTD, BCL6B, BPGM CA12 758/4885CA1 3404/4885CA2 593/4885

“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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