SCHEMBL4479756

SCHEMBL4479756

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS2R38 P59533 1/20 0.39
TSHR P16473 2/20 0.37
CTH P32929 1/20 0.37
CBS P35520 1/20 0.37
THPO P40225 1/20 0.37
THRB P10828 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.34
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.31
ATM Q13315 1/20 0.31
PTGS1 P23219 1/20 0.31
CYP1A2 P05177 1/20 0.30
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
SCHEMBL4977113 0.84 TSHR (0.35) TSHRCTHCBSTHPOTHRB
SCHEMBL4472825 0.84 TSHR (0.39) TSHRCTHCBSTHPOTHRB
SCHEMBL4467707 0.81 TSHR (0.36) TSHRCTHCBSTHPOTHRB
SCHEMBL4977502 0.79 TSHR (0.37) TSHRCTHCBSTHPOTHRB
SCHEMBL4478714 0.79 ALDH1A1 (0.33) TSHRCTHCBSTHPOTHRB
SCHEMBL28283982 0.77 TAS2R38 (0.46) TAS2R38ALDH1A1HTTCYP1A2
SCHEMBL28857727 0.77
SCHEMBL4978322 0.76 TSHR (0.35) TSHRCTHCBSTHPOTHRB
SCHEMBL24799736 0.76
SCHEMBL4488898 0.74 KDM4E (0.34) TSHRCTHCBSTHPOTHRB

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 6 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
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 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-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
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 disclosed
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 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 TAS2R38 3703/4885TSHR 4677/4885CTH 1976/4885

“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.