Sugi Predict

Sugi Predict / Compounds / SCHEMBL5416701

SCHEMBL5416701

SCHEMBL5416701

O=S(=O)(NCC1CC1)N1C[C@H](SC(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H]1COCc1cc(F)c(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GBA1 P04062 1/20 0.31
▸ PTGIR P43119 1/20 0.30
▸ PLA2G4A P47712 2/20 0.30
▸ PLA2G6 O60733 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
SCHEMBL5414178 0.96 ECE1 (0.36) ECE1ALDH1A1POLB
SCHEMBL5416859 0.90 ECE1 (0.38) ECE1ALDH1A1POLB
SCHEMBL5409587 0.89 ECE1 (0.38) ECE1
SCHEMBL5409662 0.89 ECE1 (0.38) ECE1PLA2G4APLA2G6
SCHEMBL5409147 0.88 ECE1 (0.38) ECE1ALDH1A1POLBPLA2G4APLA2G6
SCHEMBL5416806 0.87 ECE1 (0.37) ECE1ALDH1A1
SCHEMBL5412687 0.86 ECE1 (0.36) ECE1
SCHEMBL5409473 0.85 ECE1 (0.42) ECE1PLA2G4APLA2G6
SCHEMBL5421683 0.85 ECE1 (0.40) ECE1
SCHEMBL5411781 0.84 ECE1 (0.38) ECE1ALDH1A1PLA2G4APLA2G6

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 4/4885ALDH1A1 1186/4885POLB 1509/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 ECE1 4/4885ALDH1A1 1186/4885POLB 1509/4885
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 33/4885ALDH1A1 2463/4885POLB 2466/4885

“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.