SCHEMBL6638801

SCHEMBL6638801

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.55
MAOB P27338 3/20 0.49
F10 P00742 7/20 0.48
CALML3 P27482 2/20 0.47
LMNA P02545 1/20 0.47
PTGS1 P23219 1/20 0.47
SDHA P31040 1/20 0.47

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
SCHEMBL6040240 0.92 MAOA (0.56) MAOAMAOBF10CALML3LMNA
SCHEMBL6040347 0.92 MAOA (0.53) MAOAMAOBF10CALML3LMNA
SCHEMBL6040227 0.91 MAOA (0.66) MAOAMAOBF10CALML3LMNA
SCHEMBL6635792 0.90 MAOA (0.55) MAOAMAOBF10CALML3LMNA
SCHEMBL6638260 0.90 MAOA (0.54) MAOAMAOBF10CALML3LMNA
SCHEMBL6633623 0.89 MAOA (0.56) MAOAMAOBF10CALML3LMNA
SCHEMBL6040205 0.88 MAOA (0.51) MAOAMAOBF10CALML3LMNA
SCHEMBL6638940 0.87 MAOA (0.52) MAOAMAOBF10CALML3LMNA
SCHEMBL6634621 0.84 MAOA (0.63) MAOAMAOBF10CALML3LMNA
SCHEMBL6624270 0.83 CALML3 (0.50) MAOAMAOBF10CALML3

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

“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.