SCHEMBL6636588

SCHEMBL6636588

CC(C)(C)OC(=O)NC[C@H]1CN(c2ccc(C3=NNC(=S)CS3)c(F)c2)C(=O)O1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.50
F10 P00742 7/20 0.48
MAOB P27338 4/20 0.46
CALML3 P27482 2/20 0.45
LMNA P02545 1/20 0.45
PTGS1 P23219 1/20 0.45
SDHA P31040 1/20 0.45

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
SCHEMBL6638940 0.93 MAOA (0.52) MAOAF10MAOBCALML3LMNA
SCHEMBL6634621 0.89 MAOA (0.63) MAOAF10MAOBCALML3LMNA
SCHEMBL6634364 0.87 MAOA (0.54) MAOAF10MAOBCALML3LMNA
SCHEMBL6635792 0.85 MAOA (0.55) MAOAF10MAOBCALML3LMNA
SCHEMBL6040227 0.81 MAOA (0.66) MAOAF10MAOBCALML3LMNA
SCHEMBL6637668 0.81 CALML3 (0.48) MAOAF10MAOBCALML3
SCHEMBL6637672 0.81 CALML3 (0.48) MAOAF10MAOBCALML3
SCHEMBL6633623 0.81 MAOA (0.56) MAOAF10MAOBCALML3LMNA
Trifluoroacetic Acid SCHEMBL6707502 0.80 CALML3 (0.44) MAOAF10MAOBCALML3
Trifluoroacetic Acid SCHEMBL6707503 0.80 CALML3 (0.44) MAOAF10MAOBCALML3

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-6828317-B2 Bactericides; gramnegative, grampositive bacteria PHARMACIA & UPJOHN COMPANY 2004-12-07 US claimed
US-20040014746-A1 Antimicrobial thiadiazinone derivatives and their application for treatment of bacterial infections LEUHR GARY W (US) 2004-01-22 US claimed
US-6828317-B2 Bactericides; gramnegative, grampositive bacteria PHARMACIA & UPJOHN COMPANY 2004-12-07 US disclosed
EP-1472247-A1 ANTIMICROBIAL THIADIAZINONE DERIVATIVES USEFUL IN TREATMENT OF BACTERIAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2004-11-03 EP disclosed
US-20040014746-A1 Antimicrobial thiadiazinone derivatives and their application for treatment of bacterial infections LEUHR GARY W (US) 2004-01-22 US disclosed
WO-2003066631-A1 ANTIMICROBIAL THIADIAZINONE DERIVATIVES USEFUL IN TREATMENT OF BACTERIAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2003-08-14 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-20040014746-A1 Antimicrobial thiadiazinone derivatives and their application for treatment of bacterial infections TBCD, THPO, NISCH MAOA 2120/4885F10 3344/4885MAOB 1467/4885

“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.