SCHEMBL4441402

SCHEMBL4441402

CC(C)C(C(=O)O)N(C)P(=O)(O)O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.34
SLC7A5 Q01650 1/20 0.32
TP53 P04637 1/20 0.32
LAP3 P28838 1/20 0.31
MVD P53602 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
SCHEMBL4437316 0.76 TP53 (0.35) TP53
SCHEMBL9506705 0.74 TP53 (0.33) TP53
SCHEMBL14890392 0.72 TP53 (0.40) ADAMTS4SLC7A5TP53
SCHEMBL15023 0.72 TP53 (0.40) ADAMTS4SLC7A5TP53
SCHEMBL18921013 0.72 TP53 (0.40) ADAMTS4SLC7A5TP53
SCHEMBL214942 0.72 TP53 (0.40) ADAMTS4SLC7A5TP53
SCHEMBL2981557 0.71 FDPS (0.37) LAP3
SCHEMBL2981558 0.71 FDPS (0.37) LAP3
SCHEMBL4300140 0.70 SLC7A5 (0.43) ADAMTS4SLC7A5TP53
SCHEMBL10654070 0.70 SLC7A5 (0.43) ADAMTS4SLC7A5TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4391747-B2 2009-12-24 JP claimed
EP-1385379-B1 INSECTICIDE AND METHOD OF CONTROLLING INSECTS NUFARM AUSTRALIA LTD (AU) 2008-08-06 EP claimed
US-7217831-B2 Insecticide and method of controlling insects NUFARM - AUSTRALIA LIMITED (AU) 2007-05-15 US claimed
JP-2004532837-A 2004-10-28 JP claimed
US-20040176424-A1 Insecticide and method of controlling insects NUFARM AUSTRALIA LIMITED (AU) 2004-09-09 US claimed
EP-1385379-A4 INSECTICIDE AND METHOD OF CONTROLLING INSECTS NUFARM AUSTRALIA LTD (AU) 2004-06-23 EP claimed
EP-1385379-A1 INSECTICIDE AND METHOD OF CONTROLLING INSECTS NUFARM AUSTRALIA LIMITED (AU) 2004-02-04 EP claimed
WO-2002078448-A1 INSECTICIDE AND METHOD OF CONTROLLING INSECTS NUFARM AUSTRALIA LIMITED (AU) 2002-10-10 WO claimed
EP-1385379-B1 INSECTICIDE AND METHOD OF CONTROLLING INSECTS NUFARM AUSTRALIA LTD (AU) 2008-08-06 EP 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-20040176424-A1 Insecticide and method of controlling insects DDT, CYP2B6, NR4A1 ADAMTS4 3915/4885SLC7A5 1348/4885TP53 4859/4885

“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.