SCHEMBL476817

SCHEMBL476817

CC(C)(C)OC(=O)n1cc2c(Cl)cccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.39
POLB P06746 3/20 0.36
SCD O00767 1/20 0.35
BCHE P06276 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
TTK P33981 1/20 0.34
NOTUM Q6P988 1/20 0.33
JAK2 O60674 1/20 0.33
TYK2 P29597 1/20 0.33
LCK P06239 1/20 0.33
KDM1A O60341 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
SCHEMBL1742673 0.86 BCHE (0.36) POLBSCDBCHEMEN1KMT2A
SCHEMBL17631624 0.83 HDAC8 (0.39) SCDBCHEMEN1KMT2ANPC1
SCHEMBL13583956 0.80 GPR119 (0.36) BCHEMEN1KMT2ANPC1GAA
SCHEMBL476881 0.79 NOTUM (0.45) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL6891951 0.77 MEN1 (0.43) SCDBCHEMEN1KMT2ANPC1
SCHEMBL1743799 0.74 DHPS (0.38) JAK2
SCHEMBL31052456 0.72 HSP90AA1 (0.38) STSPOLBSCDBCHEMEN1
SCHEMBL30763696 0.71 NOTUM (0.63) STSBCHEMEN1KMT2AHSP90AA1
SCHEMBL2878376 0.71 NOTUM (0.63) STSBCHEMEN1KMT2AHSP90AA1
SCHEMBL28269691 0.71 KMT2A (0.42) POLBBCHEMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411398-B1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-12-17 EP disclosed
US-8785651-B2 Method for manufacturing a boronic acid ester compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-22 US disclosed
US-20120123122-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND GENENTECH, INC. (US) 2012-05-17 US disclosed
CN-102361878-A Process for preparing boronic acid ester compounds SUMITOMO CHEMICAL CO 2012-02-22 CN disclosed
EP-2411398-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-02-01 EP disclosed
WO-2010110782-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-30 WO 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-20120123122-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND NISCH, BRSK1, BLK STS 845/4885POLB 2454/4885SCD 1658/4885

“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.