SCHEMBL1053552

SCHEMBL1053552

COP(=O)(OC)C(O)CN

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
CYP2C19 P33261 1/20 0.43
GABBR2 O75899 2/20 0.38
GABBR1 Q9UBS5 2/20 0.38
GABRR1 P24046 1/20 0.38
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33
FDPS P14324 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
SCHEMBL1052822 0.78
SCHEMBL4454689 0.77 LMNA (0.44) LMNACYP2C19FDPS
SCHEMBL10952581 0.77 LMNA (0.44) LMNACYP2C19FDPS
Trimethyl Phosphate SCHEMBL28467805 0.74 GABBR2 (0.41) LMNACYP2C19GABBR2GABBR1GABRR1
SCHEMBL5897538 0.73 LMNA (0.41) LMNACYP2C19GABBR2GABBR1GABRR1
SCHEMBL4452186 0.73 LMNA (0.41) LMNACYP2C19FDPS
Phosphoric Acid Monomethyl Ester SCHEMBL28465205 0.72 GABBR2 (0.44) LMNACYP2C19GABBR2GABBR1GABRR1
SCHEMBL20664153 0.72 GABBR2 (0.34) LMNACYP2C19GABBR2GABBR1GABRR1
SCHEMBL14438178 0.71 LMNA (0.40) LMNACYP2C19FDPS
SCHEMBL4453650 0.70 LMNA (0.39) LMNACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198060-B2 for drug screening; targets for anti-nematode vaccines, pesticides, and drugs DIVERGENCE, INC. (US) 2012-06-12 US disclosed
US-7867749-B2 Nematode phosphoethanolamine N-methyltransferase-like sequences DIVERGENCE, INC. (US) 2011-01-11 US disclosed
US-20090318563-A1 Nematicidal Compositions and Methods DIVERGENCE, INC. 2009-12-24 US disclosed
US-20090123986-A1 Nematode Phosphoethanolamine N-Methyltransferase-Like Sequences DIVERGENCE, INC. 2009-05-14 US disclosed
US-7442533-B2 Nematode phosphoethanolamine N-methyltransferase-like sequences DIVERGENCE, INC. (US) 2008-10-28 US disclosed
US-20070009981-A1 Nematode phosphoethanolamine N-methyltransferase-like sequences MONSANTO TECHNOLOGY LLC 2007-01-11 US disclosed
EP-1578929-A4 NEMATODE PHOSPHOETHANOLAMINE N-METHYLTRANSFERASE-LIKE SEQUENCES DIVERGENCE INC (US) 2006-12-13 EP disclosed
WO-2006060654-A2 PESTICIDAL COMPOSITIONS AND METHODS DIVERGENCE, INC. (US) 2006-06-08 WO disclosed
EP-1578929-A2 NEMATODE PHOSPHOETHANOLAMINE N-METHYLTRANSFERASE-LIKE SEQUENCES Divergence, Inc. (US) 2005-09-28 EP disclosed
US-20050203067-A1 Pesticidal compositions and methods DIVERGENCE, INC. 2005-09-15 US disclosed
US-20040254150-A1 Nematicidal compositions and methods DIVERGENCE, INC. 2004-12-16 US disclosed
WO-2004103070-A2 NEMATICIDAL COMPOSITIONS AND METHODS DIVERGENCE, INC. (US) 2004-12-02 WO disclosed
US-20040091467-A1 Nematode phosphoethanolamine n-methyltransferase-like sequences MONSANTO TECHNOLOGY LLC 2004-05-13 US disclosed
WO-2004001011-A2 NEMATODE PHOSPHOETHANOLAMINE N-METHYLTRANSFERASE-LIKE SEQUENCES DIVERGENCE, INC. (US) 2003-12-31 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 (5 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-20040254150-A1 Nematicidal compositions and methods NISCH, PNMT, ATL3 LMNA 811/4885CYP2C19 3432/4885GABBR2 1586/4885
US-20070009981-A1 Nematode phosphoethanolamine N-methyltransferase-like sequences PNMT, HNMT, GNMT LMNA 3432/4885CYP2C19 4879/4885GABBR2 4838/4885
US-20040091467-A1 Nematode phosphoethanolamine n-methyltransferase-like sequences PNMT, HNMT, GNMT LMNA 3432/4885CYP2C19 4879/4885GABBR2 4838/4885
US-20050203067-A1 Pesticidal compositions and methods ACHE, DDT, PTMS LMNA 1278/4885CYP2C19 1327/4885GABBR2 568/4885
US-20090318563-A1 Nematicidal Compositions and Methods NISCH, PNMT, HNMT LMNA 942/4885CYP2C19 3278/4885GABBR2 1573/4885

“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.