SCHEMBL16970541

SCHEMBL16970541

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)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 8/20 0.40
ATM Q13315 1/20 0.40
PSMB10 P40306 1/20 0.39
PSMB2 P49721 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 1/20 0.39
PSMB5 P28074 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MMP12 P39900 2/20 0.38
TMPRSS11D O60235 1/20 0.38
CTRL P40313 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL16910578 1.00 SMN1; SMN2 (0.41) SMN1; SMN2LMNAALDH1A1ATMPSMB10
SCHEMBL15571602 0.92 PSMB10 (0.49) PSMB10PSMB2PSMB5TMPRSS11DCTRL
SCHEMBL16970543 0.92 PSMB10 (0.49) PSMB10PSMB2PSMB5TMPRSS11DCTRL
SCHEMBL16970533 0.91 PSMB10 (0.48) PSMB10PSMB2PSMB5TMPRSS11DCTRL
SCHEMBL16910569 0.91 PSMB10 (0.48) PSMB10PSMB2PSMB5TMPRSS11DCTRL
SCHEMBL16910580 0.91 PSMB10 (0.50) PSMB10PSMB2PSMB5TMPRSS11DCTRL
SCHEMBL16970553 0.89 PSMB5 (0.52) PSMB10PSMB2PSMB5MMP12TMPRSS11D
SCHEMBL15569322 0.88 TMPRSS11D (0.51) ALDH1A1PSMB10PSMB2PSMB5MMP12
SCHEMBL16910561 0.88 PSMB5 (0.53) PSMB10PSMB2PSMB5MMP12TMPRSS11D
SCHEMBL16970522 0.88 TMPRSS11D (0.51) ALDH1A1PSMB10PSMB2PSMB5MMP12

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-20150218212-A1 FLUORINATED EPOXYKETONE-BASED TETRAPEPTIDE COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS FLUORINOV PHARMA INC. (CA) 2015-08-06 US disclosed
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 SMN1; SMN2 1583/4885LMNA 2389/4885ALDH1A1 3449/4885

“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.