SCHEMBL5403789

SCHEMBL5403789

CCOC(=O)COC(=O)N1C[C@H](SC(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H]1COCc1cc(F)c(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.48
PLA2G4A P47712 2/20 0.34
PLA2G6 O60733 1/20 0.34
DPP4 P27487 4/20 0.33
NLRP3 Q96P20 1/20 0.31
SRC P12931 4/20 0.30
POLB P06746 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL5415467 0.90 ECE1 (0.51) ECE1PLA2G4APLA2G6DPP4
SCHEMBL5404278 0.87 ECE1 (0.51) ECE1PLA2G4APLA2G6DPP4SRC
SCHEMBL7146865 0.86 ECE1 (0.51) ECE1PLA2G4APLA2G6DPP4
SCHEMBL5407311 0.86 ECE1 (0.51) ECE1PLA2G4APLA2G6DPP4
SCHEMBL5412904 0.84 ECE1 (0.52) ECE1PLA2G4APLA2G6DPP4POLB
SCHEMBL5413340 0.83 ECE1 (0.60) ECE1PLA2G4APLA2G6ALDH1A1MAPT
SCHEMBL5411790 0.81 ECE1 (0.38) ECE1PLA2G4APLA2G6DPP4ALDH1A1
SCHEMBL5411781 0.81 ECE1 (0.38) ECE1PLA2G4APLA2G6DPP4ALDH1A1
SCHEMBL5407104 0.81 ECE1 (0.47) ECE1PLA2G4APLA2G6DPP4
SCHEMBL5407100 0.81 ECE1 (0.47) ECE1PLA2G4APLA2G6DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189756-B2 Pyrrolidine derivatives HOFFMAN-LA ROCHE INC. (US) 2007-03-13 US disclosed
US-20040242672-A1 Useful as inhibitors of metalloproteases, e.g. zinc proteases; effective in treating disease states associated with vasoconstriction such as high blood pressure, coronary disorders, cardiac insufficiency, renal and myocardial ischaemia, renal insufficiency, dialysis, cerebral ischaemia AEBI JOHANNES (CH) 2004-12-02 US disclosed
US-6790860-B2 USEFUL AS INHIBITORS OF METALLOPROTEASES, E.G. ZINC PROTEASES; EFFECTIVE IN TREATING DISEASE STATES ASSOCIATED WITH VASOCONSTRICTION HOFFMANN-LA ROCHE INC. 2004-09-14 US disclosed
US-20030199569-A1 Pyrrolidine derivatives AEBI JOHANNES (CH) 2003-10-23 US disclosed
EP-1303486-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-20020040146-A1 Pyrrolidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2002-04-04 US disclosed
WO-2002008185-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-31 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 (3 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-20030199569-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 ECE1 4/4885PLA2G4A 1543/4885PLA2G6 1720/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 ECE1 4/4885PLA2G4A 1543/4885PLA2G6 1720/4885
US-20040242672-A1 Useful as inhibitors of metalloproteases, e.g. zinc proteases; effective in treating disease states associated with vasoconstriction such as high blood pressure, coronary disorders, cardiac insufficiency, renal and myocardial ischaemia, renal insufficiency, dialysis, cerebral ischaemia MMP1, PEPD, MMP25 ECE1 33/4885PLA2G4A 1455/4885PLA2G6 1373/4885

“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.