SCHEMBL3712015

SCHEMBL3712015

Cc1c(NC(=O)OC(C)(C)C)cccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.42
LIPE Q05469 7/20 0.39
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
P2RX7 Q99572 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
BRD9 Q9H8M2 1/20 0.37
ELANE P08246 1/20 0.37
CTRB1 P17538 1/20 0.37
ALDH1A1 P00352 1/20 0.36
METAP1 P53582 1/20 0.36

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
SCHEMBL14560 0.88 LIPE (0.48) AAK1LIPERXFP1LMNAPOLB
SCHEMBL20312243 0.87 LIPE (0.40) LIPEALDH1A1
SCHEMBL30127865 0.87 LIPE (0.40) LIPEALDH1A1
SCHEMBL29984550 0.86 AAK1 (0.41) AAK1LIPERXFP1LMNAPOLB
SCHEMBL16263673 0.86 AAK1 (0.41) AAK1LIPERXFP1LMNAPOLB
SCHEMBL24497673 0.85 AAK1 (0.41) AAK1LIPERXFP1LMNAPOLB
SCHEMBL28812261 0.84 LIPE (0.44) AAK1LIPERXFP1LMNAPOLB
SCHEMBL13771762 0.84 ALDH1A1 (0.42) AAK1LIPELMNAALDH1A1
SCHEMBL34473719 0.84 AAK1 (0.42) AAK1LIPEP2RX7PRMT5WDR77
SCHEMBL20293692 0.83 LIPE (0.39) LIPE

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
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

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 AAK1 2316/4885LIPE 128/4885RXFP1 4786/4885

“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.