SCHEMBL16984902

SCHEMBL16984902

O=C(CN1CCOCC1)N[C@@H](COC(F)F)C(=O)N[C@@H](COC(F)F)C(=O)N[C@@H](COC(F)F)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPT P10636 1/20 0.49
PSMB5 P28074 10/20 0.47
TMPRSS11D O60235 1/20 0.47
CTRL P40313 1/20 0.47
USP2 O75604 1/20 0.47
HTT P42858 1/20 0.47
CYP3A4 P08684 2/20 0.46
CYP3A5 P20815 2/20 0.46
CYP3A7 P24462 2/20 0.46
CYP3A43 Q9HB55 2/20 0.46
PSMB9 P28065 2/20 0.46
PSMB8 P28062 2/20 0.46
PSMB11 A5LHX3 1/20 0.46
PSMD11 O00231 1/20 0.46
PSMD12 O00232 1/20 0.46
PSMD14 O00487 1/20 0.46
PSMA7 O14818 1/20 0.46
PSMD3 O43242 1/20 0.46
CTSB P07858 1/20 0.46

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
SCHEMBL16925324 1.00 ALDH1A1 (0.49) ALDH1A1MAPTPSMB5TMPRSS11DCTRL
SCHEMBL16984918 0.96 PSMB5 (0.51) PSMB5TMPRSS11DCTRLCYP3A4CYP3A5
SCHEMBL16984801 0.95 TMPRSS11D (0.49) ALDH1A1MAPTPSMB5TMPRSS11DCTRL
SCHEMBL16924992 0.95 TMPRSS11D (0.49) ALDH1A1MAPTPSMB5TMPRSS11DCTRL
SCHEMBL16925152 0.95 PSMB5 (0.52) PSMB5TMPRSS11DCTRLCYP3A4CYP3A5
SCHEMBL16970554 0.95 TMPRSS11D (0.55) PSMB5TMPRSS11DCTRLCYP3A4CYP3A5
SCHEMBL16984841 0.95 TMPRSS11D (0.55) PSMB5TMPRSS11DCTRLCYP3A4CYP3A5
SCHEMBL16984905 0.95 TMPRSS11D (0.55) ALDH1A1MAPTPSMB5TMPRSS11DCTRL
SCHEMBL16925281 0.94 TMPRSS11D (0.55) PSMB5TMPRSS11DCTRLCYP3A4CYP3A5
SCHEMBL16910617 0.93 TMPRSS11D (0.53) PSMB5TMPRSS11DCTRLCYP3A4CYP3A5

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-20150218212-A1 FLUORINATED EPOXYKETONE-BASED TETRAPEPTIDE COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS FLUORINOV PHARMA INC. (CA) 2015-08-06 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-20150218212-A1 FLUORINATED EPOXYKETONE-BASED TETRAPEPTIDE COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS PSMA1, PSMB1, PSMB11 ALDH1A1 3449/4885MAPT 2331/4885PSMB5 7/4885

“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.