SCHEMBL1276385

SCHEMBL1276385

O=C(Cl)OCOC(=O)CCC(=O)OCOC(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
MAPT P10636 1/20 0.37
BLM P54132 1/20 0.37
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.34
DGKA P23743 1/20 0.31
CYP1A2 P05177 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL1276383 0.90 LMNA (0.43) ADRA2AADRA1AMAPTBLMTSHR
SCHEMBL5989571 0.88 TSHR (0.59) ADRA2AADRA1AMAPTBLMTSHR
SCHEMBL10249594 0.87
SCHEMBL7783180 0.87 DGKA (0.46) MAPTTSHRALDH1A1DGKACYP1A2
SCHEMBL5210881 0.85 ALDH1A1 (0.50) ADRA2AADRA1AMAPTTSHRALDH1A1
SCHEMBL9129481 0.81 DGKA (0.52) MAPTTSHRALDH1A1DGKACYP1A2
SCHEMBL2959075 0.79 TSHR (0.56) TSHRALDH1A1DGKALMNA
SCHEMBL7713765 0.79 DGKA (0.61) MAPTTSHRALDH1A1DGKALMNA
SCHEMBL5213533 0.78 NAAA (0.43) BLMTSHRALDH1A1CYP1A2LMNA
SCHEMBL15246921 0.78 ALDH1A1 (0.32) ALDH1A1

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
US-8901072-B2 Glycopeptide and lipoglycopeptide antibiotics with improved solubility THE MEDICINES COMPANY (US) 2014-12-02 US disclosed
US-20120149632-A1 GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS WITH IMPROVED SOLUBILITY THE MEDICINES COMPANY (US) 2012-06-14 US disclosed
WO-2011019839-A2 GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS WITH IMPROVED SOLUBILITY THE MEDICINES COMPANY (US) 2011-02-17 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-20120149632-A1 GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS WITH IMPROVED SOLUBILITY NGLY1, LGALS3BP, GYPA ADRA2A 4614/4885ADRA1A 4653/4885MAPT 4770/4885

“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.