SCHEMBL6637828

SCHEMBL6637828

COC(=O)C1SC(c2ccc(N3C[C@H](CN)OC3=O)cc2F)=NNC1=O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 0.46
CALML3 P27482 6/20 0.45
MAOB P27338 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
F10 P00742 1/20 0.40

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
SCHEMBL6637825 1.00 MAOA (0.46) MAOACALML3MAOBCYP3A4CYP2C19
SCHEMBL6634716 0.90 MAOA (0.60) MAOACALML3MAOBF10
SCHEMBL6634714 0.85 MAOA (0.40) MAOACALML3MAOBCYP3A4CYP2C19
SCHEMBL6635519 0.85 CALML3 (0.48) MAOACALML3MAOBCYP3A4CYP2C19
SCHEMBL6706437 0.85 CALML3 (0.48) MAOACALML3MAOBCYP3A4CYP2C19
SCHEMBL6638909 0.84 CALML3 (0.48) MAOACALML3CYP3A4F10
SCHEMBL6638913 0.84 CALML3 (0.48) MAOACALML3CYP3A4F10
SCHEMBL6634648 0.84 CALML3 (0.46) MAOACALML3CYP3A4CYP2C19
SCHEMBL6634642 0.84 CALML3 (0.46) MAOACALML3CYP3A4CYP2C19
SCHEMBL6707507 0.84 CALML3 (0.46) MAOACALML3MAOBCYP3A4CYP2C19

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 4 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 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 2120/4885CALML3 4231/4885MAOB 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.