SCHEMBL15077475

SCHEMBL15077475

CC1(C)OC[C@H](CCOc2cccc(C=O)c2B2OC(C)(C)C(C)(C)O2)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.35
ALDH1A1 P00352 5/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
ADRA1D P25100 8/20 0.34
HTR1A P08908 7/20 0.34
ADRA1A P35348 7/20 0.34
ADRA1B P35368 7/20 0.34
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 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
SCHEMBL1133830 0.85 ALDH1A1 (0.50) MAPK14ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL13035573 0.82 APP (0.37) ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL15077477 0.82 ALDH1A1 (0.38) MAPK14ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL15077378 0.79 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2HTTMEN1
SCHEMBL5019553 0.78 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2HTTMEN1
SCHEMBL5019544 0.77 ALDH1A1 (0.42) ALDH1A1HPGDSMN1; SMN2HTTMEN1
SCHEMBL3445836 0.77 ALDH1A1 (0.42) ALDH1A1HPGDSMN1; SMN2HTTNPSR1
SCHEMBL1498588 0.77 ALDH1A1 (0.42) ALDH1A1HPGDSMN1; SMN2HTTMEN1
SCHEMBL3445997 0.76 ALDH1A1 (0.39) ALDH1A1HPGDSMN1; SMN2HTTMEN1
SCHEMBL469441 0.76 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530452-B2 Tricyclic boron compounds for antimicrobial therapy MICURX PHARMACEUTICALS, INC. (KY) 2013-09-10 US disclosed
US-8530452-B2 Tricyclic boron compounds for antimicrobial therapy MICURX PHARMACEUTICALS, INC. (KY) 2013-09-10 US disclosed
US-20130165411-A1 TRICYCLIC BORON COMPOUNDS FOR ANTIMICROBIAL THERAPY MICURX PHARMACEUTICALS, INC. (KY) 2013-06-27 US disclosed
US-20130165411-A1 TRICYCLIC BORON COMPOUNDS FOR ANTIMICROBIAL THERAPY MICURX PHARMACEUTICALS, INC. (KY) 2013-06-27 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-20130165411-A1 TRICYCLIC BORON COMPOUNDS FOR ANTIMICROBIAL THERAPY TBCA, TBCB, BTD MAPK14 1350/4885ALDH1A1 4409/4885HPGD 4390/4885

“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.