SCHEMBL6637672

SCHEMBL6637672

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

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 6/20 0.48
MAOA P21397 8/20 0.43
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
F10 P00742 1/20 0.40
MAOB P27338 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL6637668 1.00 CALML3 (0.48) CALML3MAOACYP3A4CYP2D6F10
Trifluoroacetic Acid SCHEMBL6707503 0.93 CALML3 (0.44) CALML3MAOACYP3A4CYP2D6F10
Trifluoroacetic Acid SCHEMBL6707502 0.93 CALML3 (0.44) CALML3MAOACYP3A4CYP2D6F10
SCHEMBL6040261 0.91 CALML3 (0.50) CALML3MAOACYP3A4CYP2D6F10
SCHEMBL6624270 0.91 CALML3 (0.50) CALML3MAOACYP3A4CYP2D6F10
SCHEMBL6634621 0.85 MAOA (0.63) CALML3MAOAF10MAOB
SCHEMBL6634364 0.85 MAOA (0.54) CALML3MAOAF10MAOB
SCHEMBL6638909 0.82 CALML3 (0.48) CALML3MAOACYP3A4CYP2D6F10
SCHEMBL6638913 0.82 CALML3 (0.48) CALML3MAOACYP3A4CYP2D6F10
SCHEMBL6636588 0.81 MAOA (0.50) CALML3MAOAF10MAOB

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 CALML3 4231/4885MAOA 2120/4885CYP3A4 441/4885

“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.