SCHEMBL22338644

SCHEMBL22338644

N=C(N)NCCC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCN(C(=O)OCCCC(=O)O)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLG P00747 10/20 0.55
HPN P05981 3/20 0.52
F10 P00742 2/20 0.52
F2 P00734 4/20 0.50
ST14 Q9Y5Y6 2/20 0.49
HGFAC Q04756 1/20 0.49
F12 P00748 1/20 0.48
PLAU P00749 1/20 0.48
KLKB1 P03952 1/20 0.48
PROC P04070 1/20 0.48

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
SCHEMBL10309168 0.90 PLG (0.67) PLGHPNF10F2ST14
SCHEMBL29692642 0.90 PLG (0.67) PLGHPNF10F2ST14
SCHEMBL1330017 0.89 PLG (0.59) PLGHPNF10F2ST14
SCHEMBL1330019 0.89 PLG (0.59) PLGHPNF10F2ST14
SCHEMBL29692554 0.89 PLG (0.59) PLGHPNF10F2ST14
SCHEMBL20560096 0.87 PLG (0.57) PLGHPNF10ST14HGFAC
SCHEMBL1328461 0.87 PLG (0.57) PLGHPNF10ST14HGFAC
SCHEMBL18811787 0.86 PLG (0.50) PLGHPNF10F2ST14
SCHEMBL12125514 0.85 PLG (0.56) PLGHPNF10F2ST14
SCHEMBL1460406 0.83 F2 (0.56) PLGHPNF10F2ST14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200253900-A1 Compositions Comprising Enzyme-Cleavable Amphetamine Prodrugs and Inhibitors Thereof 3I, LP 2020-08-13 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-20200253900-A1 Compositions Comprising Enzyme-Cleavable Amphetamine Prodrugs and Inhibitors Thereof ACHE, COMT, CES2 PLG 443/4885HPN 197/4885F10 4295/4885

“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.