SCHEMBL476879

SCHEMBL476879

Cc1c(Cl)cccc1NC(=O)OC(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
LMNA P02545 3/20 0.58
POLB P06746 2/20 0.58
MAPT P10636 3/20 0.58
P2RX7 Q99572 1/20 0.55
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 1/20 0.51
TRPV1 Q8NER1 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
LCK P06239 1/20 0.49
KMT2A Q03164 1/20 0.49
THRB P10828 1/20 0.49

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
SCHEMBL28146075 0.86 MEN1 (0.60) ALDH1A1LMNAMAPTMAPK1LCK
SCHEMBL3790475 0.85 PDK1 (0.54) ALDH1A1LMNAHTTSMN1; SMN2KDM4E
SCHEMBL30207788 0.85 PDK1 (0.54) ALDH1A1LMNAHTTSMN1; SMN2KDM4E
SCHEMBL2986447 0.85 KDM4E (0.58) ALDH1A1LMNAPOLBMAPTHTT
SCHEMBL3790491 0.84 LCK (0.52) ALDH1A1LMNAPOLBP2RX7MAPK1
SCHEMBL16812449 0.84 ALDH1A1 (0.47) ALDH1A1LMNAPOLBMAPTP2RX7
SCHEMBL3784448 0.83 GPR35 (0.50) ALDH1A1LMNAPOLBP2RX7MAPK1
SCHEMBL2091197 0.83 ALDH1A1 (0.73) ALDH1A1LMNAPOLBMAPTHTT
SCHEMBL12517737 0.83 RXFP1 (0.46) ALDH1A1LMNAPOLBP2RX7MAPK1
SCHEMBL15296459 0.83 ALDH1A1 (0.46) ALDH1A1LMNAPOLBP2RX7MAPK1

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 11 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
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
EP-1660484-B1 METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPHA-1 ADRENERGIC AGONISTS HOFFMANN LA ROCHE (CH) 2008-08-27 EP disclosed
EP-1660484-B1 METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPHA-1 ADRENERGIC AGONISTS HOFFMANN LA ROCHE (CH) 2008-08-27 EP disclosed
EP-1660484-A1 METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPHA-1 ADRENERGIC AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-31 EP disclosed
US-6979696-B2 Method for detecting a gram-negative bacterial autoinducer molecule ROCHE PALO ALTO LLC (US) 2005-12-27 US disclosed
WO-2004099189-A1 METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPH-1 ADRENERGIC AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-18 WO disclosed
US-20040224973-A1 Substituted indoles as alpha-1 agonists ROCHE PALO ALTO LLC 2004-11-11 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 (2 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-20040224973-A1 Substituted indoles as alpha-1 agonists ADRA1A, ADRB1, ADRA1D ALDH1A1 408/4885LMNA 1781/4885POLB 3963/4885
US-20120123122-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND NISCH, BRSK1, BLK ALDH1A1 4174/4885LMNA 4073/4885POLB 2454/4885

“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.