SCHEMBL16633067

SCHEMBL16633067

CCC1(CC)c2ccccc2-c2ccc(B(O)c3ccc4c(c3)C(CC)(CC)c3ccccc3-4)cc21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 15/20 0.37
APEX1 P27695 1/20 0.37
PGR P06401 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
PCSK9 Q8NBP7 1/20 0.32
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32
ORAI3 Q9BRQ5 1/20 0.32
TRPV6 Q9H1D0 1/20 0.32

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
SCHEMBL29957011 0.90 CA1 (0.38) PDK2APEX1PGRCYP1A2CYP2C19
SCHEMBL430235 0.90 CA1 (0.38) PDK2APEX1PGRCYP1A2CYP2C19
SCHEMBL16632979 0.88 APEX1 (0.41) PDK2APEX1PGRPCSK9ORAI1
SCHEMBL16633883 0.85 APEX1 (0.40) PDK2APEX1CYP2C19PCSK9
SCHEMBL16632924 0.84 PDK2 (0.39) PDK2APEX1PCSK9
SCHEMBL16633971 0.83 PDK2 (0.40) PDK2APEX1PCSK9
SCHEMBL10018630 0.79 APEX1 (0.33) PDK2APEX1PGR
SCHEMBL1271141 0.79 APEX1 (0.41) PDK2APEX1PGRCYP1A2CYP2C19
SCHEMBL1394829 0.78 APEX1 (0.47) PDK2APEX1PGRCYP1A2CYP2C19
SCHEMBL29484836 0.78 APEX1 (0.47) PDK2APEX1PGRCYP1A2CYP2C19

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 2287/4885APEX1 551/4885PGR 2131/4885

“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.