SCHEMBL6040258

SCHEMBL6040258

CC(=O)NC[C@H]1CN(c2ccc(C3=NNC(=O)C(CO)S3)c(F)c2)C(=O)O1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.62
MAOB P27338 2/20 0.56
CALML3 P27482 4/20 0.54
PTGS1 P23219 2/20 0.54
SDHA P31040 2/20 0.54
LMNA P02545 1/20 0.54
F10 P00742 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 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
SCHEMBL6040492 0.94 MAOA (0.60) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL6040466 0.93 MAOA (0.62) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL6040301 0.92 MAOA (0.60) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL6040439 0.90 MAOA (0.64) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL6040893 0.90 MAOA (0.64) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL6040560 0.90 MAOA (0.64) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL6632965 0.89 MAOA (0.57) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL6040290 0.89 MAOA (0.62) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL6634716 0.87 MAOA (0.60) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL6636723 0.87 MAOA (0.60) MAOAMAOBCALML3PTGS1SDHA

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 8 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-7049443-B2 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound PHARMACIA & UPJOHN COMPANY (US) 2006-05-23 US disclosed
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-20040014967-A1 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound PHARMACIA & UPJOHN COMPANY 2004-01-22 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
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 (2 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 1467/4885CALML3 4231/4885
US-20040014967-A1 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound AADAC, AAAS, SLC7A1 MAOA 1179/4885MAOB 732/4885CALML3 3583/4885

“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.