SCHEMBL22854352

SCHEMBL22854352

CCOC(=O)c1c(F)ccc2c1OB(O)[C@@H]1C[C@H]21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAT P04040 1/20 0.70
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ALOX5 P09917 5/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
ALOX12 P18054 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
CFTR P13569 2/20 0.33
BRD4 O60885 1/20 0.33
MGAM O43451 1/20 0.33
AMY1A P0DUB6 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33

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
SCHEMBL22854346 1.00 CAT (0.70) CATCA12CA1CA2CA7
SCHEMBL22854351 1.00 CAT (0.70) CATCA12CA1CA2CA7
SCHEMBL22854348 1.00 CAT (0.70) CATCA12CA1CA2CA7
SCHEMBL21012423 0.91 CAT (0.61) CATCA12CA1CA2CA7
SCHEMBL23655053 0.91 CAT (0.61) CATCA12CA1CA2CA7
SCHEMBL23655054 0.88 CAT (0.63) CATALDH1A1KDM4EL3MBTL1GAA
SCHEMBL23655232 0.88 CAT (0.63) CATALDH1A1KDM4EL3MBTL1GAA
SCHEMBL21012425 0.88 CAT (0.63) CATALDH1A1KDM4EL3MBTL1GAA
SCHEMBL23654593 0.88 CAT (0.57) CATALDH1A1KDM4ELMNAALOX12
SCHEMBL21012558 0.88 CAT (0.57) CATALDH1A1KDM4ELMNAALOX12

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-20200407373-A1 BORONIC ACID DERIVATIVES AND SYNTHESIS THEREOF QPEX BIOPHARMA, INC. 2020-12-31 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-20200407373-A1 BORONIC ACID DERIVATIVES AND SYNTHESIS THEREOF BTD, BLVRB, BLK CAT 123/4885CA12 558/4885CA1 1169/4885

“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.