SCHEMBL16633217

SCHEMBL16633217

CC1(C)c2ccccc2-c2ccc(B(O)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 14/20 0.36
ORAI1 Q96D31 3/20 0.35
ORAI2 Q96SN7 3/20 0.35
ORAI3 Q9BRQ5 3/20 0.35
TRPV6 Q9H1D0 3/20 0.35
PCSK9 Q8NBP7 1/20 0.35
MLNR O43193 1/20 0.35
NR1I2 O75469 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRB1 P08588 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CHRM3 P20309 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL24647 0.89 CA2 (0.41) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL29400267 0.89 CA2 (0.41) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL18257035 0.88 PDK2 (0.36) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL17427064 0.86 CA1 (0.39) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL14508331 0.83 PDK2 (0.41) PDK2
SCHEMBL13388829 0.83 PDK2 (0.41) PDK2
Boric Acid SCHEMBL27598471 0.80 PDK2 (0.43) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL13599937 0.80 MGLL (0.47) PDK2
SCHEMBL29851086 0.80 MGLL (0.47) PDK2
SCHEMBL23258928 0.79 CA1 (0.39) PDK2MLNRNR1I2CHRM2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2886548-A1 METHOD FOR PRODUCING BORINIC ACID DERIVATIVE, AND NOVEL BORINIC ACID DERIVATIVE Manac Inc. (JP) 2015-06-24 EP disclosed
US-20150105562-A1 METHOD FOR PREPARING BORINIC ACID DERIVATIVES AND NOVEL BORINIC ACID DERIVATIVES MANAC INC. (JP) 2015-04-16 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-20150105562-A1 METHOD FOR PREPARING BORINIC ACID DERIVATIVES AND NOVEL BORINIC ACID DERIVATIVES ADORA2B, TPSAB1, ACVR2B PDK2 2287/4885ORAI1 3601/4885ORAI2 2661/4885

“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.