SCHEMBL5405091

SCHEMBL5405091

COC(=O)c1ccccc1OC(=O)N1C[C@H](S)C[C@H]1COCc1cc(F)c(F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 4/20 0.52
SLC6A3 Q01959 2/20 0.35
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
KMT2A Q03164 4/20 0.33
HTT P42858 1/20 0.33
SLC6A4 P31645 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 1/20 0.32
TSHR P16473 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ATM Q13315 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL5402162 0.88 ECE1 (0.55) ECE1ALDH1A1MAPT
SCHEMBL5411720 0.86 ECE1 (0.70) ECE1SLC6A3KMT2AHTTSLC6A4
SCHEMBL5422648 0.85 ECE1 (0.53) ECE1
SCHEMBL5415764 0.84 ECE1 (0.55) ECE1SLC6A3KMT2AALDH1A1MEN1
SCHEMBL5415753 0.80 ECE1 (0.75) ECE1SLC6A4
SCHEMBL5404207 0.77 ECE1 (0.47) ECE1CYP1A2
SCHEMBL5399023 0.77 ECE1 (0.56) ECE1
SCHEMBL5399422 0.76 ECE1 (0.42) ECE1
SCHEMBL5410370 0.75 ECE1 (0.43) ECE1
SCHEMBL5401467 0.74 ECE1 (0.43) ECE1KDM4EATMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11672866-B2 Osteotropic nanoparticles for prevention or treatment of bone metastases UNM RAINFOREST INNOVATIONS 2023-06-13 US claimed
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 claimed
EP-1303486-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP claimed
US-20020040146-A1 Pyrrolidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2002-04-04 US claimed
WO-2002008185-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-31 WO claimed
US-11672866-B2 Osteotropic nanoparticles for prevention or treatment of bone metastases UNM RAINFOREST INNOVATIONS 2023-06-13 US disclosed
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 (4 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-11672866-B2 Osteotropic nanoparticles for prevention or treatment of bone metastases SOST, ACP3, KLK3 ECE1 3074/4885SLC6A3 2682/4885MME 3115/4885
US-20030199569-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 ECE1 4/4885SLC6A3 1576/4885MME 100/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 ECE1 4/4885SLC6A3 1576/4885MME 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 33/4885SLC6A3 690/4885MME 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.