SCHEMBL5407079

SCHEMBL5407079

O=S(=O)(c1ccc2ccccc2c1)N1C[C@H](S)C[C@H]1CNCc1cc(F)cc(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 12/20 0.46
ACE P12821 3/20 0.42
MME P08473 2/20 0.42
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
PKM P14618 1/20 0.36
PKLR P30613 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MCOLN3 Q8TDD5 2/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPY5R Q15761 1/20 0.35
EIF2AK3 Q9NZJ5 1/20 0.34

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
SCHEMBL7176916 1.00 ECE1 (0.46) ECE1ACEMMELMNAHPGD
SCHEMBL5412634 0.90 ECE1 (0.50) ECE1ACEMMELMNAHPGD
SCHEMBL5412805 0.90 ECE1 (0.46) ECE1ACEMMELMNAHPGD
SCHEMBL5398840 0.90 ECE1 (0.45) ECE1ACEMMELMNAHPGD
SCHEMBL5404984 0.89 LMNA (0.47) ECE1ACEMMELMNAHPGD
SCHEMBL7147518 0.85 ECE1 (0.46) ECE1ACEMMELMNAHPGD
SCHEMBL5412920 0.85 ECE1 (0.46) ECE1ACEMMELMNAHPGD
SCHEMBL5412671 0.83 ECE1 (0.48) ECE1ACEMMELMNAPKM
SCHEMBL5406244 0.83 ECE1 (0.46) ECE1ACEMMELMNAALDH1A1
SCHEMBL5407403 0.81 ECE1 (0.44) ECE1ACEMMELMNAHPGD

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 4/4885ACE 85/4885MME 100/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 ECE1 4/4885ACE 85/4885MME 100/4885
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 33/4885ACE 40/4885MME 44/4885

“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.