SCHEMBL3547857

SCHEMBL3547857

COC(=O)C(CN1CC[C@H](NC(=O)OCc2ccccc2)[C@H](F)C1)c1c(F)cnc2ccc(OC)nc12

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.42
DPP4 P27487 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
SLC2A1 P11166 1/20 0.36
CPB1 P15086 1/20 0.36

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
SCHEMBL3547853 1.00 KCNH2 (0.42) KCNH2DPP4DPP7SLC2A1CPB1
SCHEMBL3547850 1.00 KCNH2 (0.42) KCNH2DPP4DPP7SLC2A1CPB1
SCHEMBL4446800 0.95 KCNH2 (0.41) KCNH2DPP4DPP7SLC2A1
SCHEMBL4446798 0.95 KCNH2 (0.41) KCNH2DPP4DPP7SLC2A1
SCHEMBL13315161 0.93 KCNH2 (0.41) KCNH2DPP4DPP7SLC2A1
SCHEMBL14610950 0.86 KCNH2 (0.52) KCNH2SLC2A1
SCHEMBL4214051 0.82 KCNH2 (0.44) KCNH2SLC2A1
SCHEMBL13315216 0.80 KCNH2 (0.42) KCNH2SLC2A1
SCHEMBL3548941 0.80 KCNH2 (0.42) KCNH2SLC2A1
SCHEMBL13382426 0.80 KCNH2 (0.49) KCNH2SLC2A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732461-B2 (4S)-4-({4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]-1-piperidinyl}methyl)-3-fluoro-4-hydroxy-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one, used in the treatment of bacterial infections caused by a wide range of organisms including both gramnegative and grampositive bacteria GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
US-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials GLAXO GROUP LIMITED 2009-05-28 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-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials NRDC, NACA, ASNS KCNH2 2161/4885DPP4 1179/4885DPP7 885/4885

“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.