SCHEMBL4472825

SCHEMBL4472825

NC(=O)NC(=O)COCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CTH P32929 1/20 0.39
CBS P35520 1/20 0.39
THPO P40225 1/20 0.39
LMNA P02545 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
THRB P10828 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.33
CRBN Q96SW2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGS1 P23219 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
SCHEMBL4479756 0.84 TAS2R38 (0.39) TSHRCTHCBSTHPOLMNA
SCHEMBL4467707 0.83 TSHR (0.36) TSHRCTHCBSTHPOKMT2A
SCHEMBL4977502 0.81 TSHR (0.37) TSHRCTHCBSTHPOKMT2A
SCHEMBL4978322 0.77 TSHR (0.35) TSHRCTHCBSTHPOKMT2A
SCHEMBL4977113 0.77 TSHR (0.35) TSHRCTHCBSTHPOKMT2A
SCHEMBL4488898 0.76 KDM4E (0.34) TSHRCTHCBSTHPOKMT2A
SCHEMBL26928 0.74
SCHEMBL11406963 0.73 FOLH1 (0.46) TSHRCTHCBSTHPOTHRB
SCHEMBL22864828 0.73 TSHR (0.41) TSHRCTHCBSTHPOKMT2A
SCHEMBL4478714 0.72 ALDH1A1 (0.33) TSHRCTHCBSTHPOKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608724-B2 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-[(aminocarbonothioyl)amino]-4-oxobutanoate;potententiation; anaerobic/ aerobic microoraganisms; grampositive,gramnegative bacteria; Campylobacter; respiratory system disorders; paraciticides; nontoxic; enzymers/hydrolases/;enzyme inhibitors EMS S.A. (BR) 2009-10-27 US claimed
US-20070072929-A1 Antibacterial and/or antiprotozoal nitromidazole derivative compounds with urease inhibitor activity, process for preparing these compounds and use in pharmaceutical compositions and medicines EMS S.A. (BR) 2007-03-29 US claimed
EP-1685114-A2 ANTIBACTERIAL AND/OR ANTIPROTOZOAL NITROIMIDAZOLE DERIVATIVE COMPOUNDS WITH UREASE INHIBITOR ACTIVITY, PROCESS FOR PREPARING THESE COMPOUNDS AND USE IN PHARMACEUTICAL COMPOSITIONS AND MEDICINES. EMS S.A. (BR) 2006-08-02 EP claimed
WO-2005041853-A2 ANTIBACTERIAL AND/OR ANTIPROTOZOAL NITROIMIDAZOLE DERIVATIVE COMPOUNDS WITH UREASE INHIBITOR ACTIVITY, PROCESS FOR PREPARING THESE COMPOUNDS AND USE IN PHARMACEUTICAL COMPOSITIONS AND MEDICINES. EMS S.A. (BR) 2005-05-12 WO claimed
EP-1685114-B1 ANTIBACTERIAL AND/OR ANTIPROTOZOAL NITROIMIDAZOLE DERIVATIVE COMPOUNDS WITH UREASE INHIBITOR ACTIVITY, PROCESS FOR PREPARING THESE COMPOUNDS AND USE IN PHARMACEUTICAL COMPOSITIONS AND MEDICINES. EMS SA (BR) 2008-10-15 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-20070072929-A1 Antibacterial and/or antiprotozoal nitromidazole derivative compounds with urease inhibitor activity, process for preparing these compounds and use in pharmaceutical compositions and medicines UMPS, PNP, UROD TSHR 4677/4885CTH 1976/4885CBS 1490/4885

“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.