SCHEMBL21113893

SCHEMBL21113893

C[C@H]1Cc2cccc(C(=O)O)c2O[B-]1(O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.44
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALOX15 P16050 1/20 0.33
G6PD P11413 1/20 0.33
CASP7 P55210 1/20 0.33
CASP6 P55212 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
MYC P01106 1/20 0.31

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
SCHEMBL21113820 1.00 PARP1 (0.44) PARP1MAPTLMNAALDH1A1KDM4E
SCHEMBL19874849 0.86 PARP1 (0.46) PARP1ALDH1A1KDM4EHPGDMAOA
SCHEMBL19874865 0.86 PARP1 (0.46) PARP1ALDH1A1KDM4EHPGDMAOA
SCHEMBL4829723 0.75 PARP1 (0.74) PARP1MAOAMAOB
SCHEMBL7151532 0.72 PARP1 (0.49) PARP1MAPTLMNAALDH1A1ALOX15
SCHEMBL30456122 0.71 PARP1 (0.41) PARP1ALDH1A1KDM4EALOX15G6PD
SCHEMBL19886737 0.71 PARP1 (0.41) PARP1ALDH1A1KDM4EALOX15G6PD
SCHEMBL23642797 0.71 PARP1 (0.44) PARP1MAPTLMNAALDH1A1KDM4E
SCHEMBL673401 0.71 PARP1 (0.44) PARP1MAPTLMNAALDH1A1KDM4E
SCHEMBL18089409 0.71 PARP1 (0.44) PARP1MAPTLMNAALDH1A1KDM4E

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-10618918-B2 Substituted boronic acids as antimicrobials QPEX BIOPHARMA, INC. (US) 2020-04-14 US disclosed
US-20190211037-A1 BORONIC ACID DERIVATIVES AND THEIR THERAPEUTIC USES IN ANTIMICROBIAL TREATMENT REMPEX PHARMACEUTICALS, INC. 2019-07-11 US disclosed
US-20190211037-A1 BORONIC ACID DERIVATIVES AND THEIR THERAPEUTIC USES IN ANTIMICROBIAL TREATMENT REMPEX PHARMACEUTICALS, INC. 2019-07-11 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 (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-10618918-B2 Substituted boronic acids as antimicrobials ABCB11, BRS3, SLC10A2 PARP1 3697/4885MAPT 3761/4885LMNA 1508/4885
US-20190211037-A1 BORONIC ACID DERIVATIVES AND THEIR THERAPEUTIC USES IN ANTIMICROBIAL TREATMENT BTD, BCL6B, BPGM PARP1 1586/4885MAPT 2616/4885LMNA 1733/4885

“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.