SCHEMBL5412866

SCHEMBL5412866

COC(=O)c1cc(S(=O)(=O)N2C[C@H](S)C[C@H]2COCc2ccccc2)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.45
ACE P12821 2/20 0.45
ECE1 P42892 2/20 0.45
MMP1 P03956 9/20 0.42
MMP3 P08254 7/20 0.42
MMP9 P14780 6/20 0.42
MMP2 P08253 5/20 0.42
MMP13 P45452 4/20 0.42
LOX P28300 1/20 0.38
ADAM17 P78536 4/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL5412863 1.00 MME (0.45) MMEACEECE1MMP1MMP3
SCHEMBL5409474 0.91 MMP9 (0.42) MMEACEECE1MMP1MMP3
SCHEMBL5409478 0.91 MMP9 (0.42) MMEACEECE1MMP1MMP3
SCHEMBL5405238 0.84 MMP1 (0.39) MMEACEECE1MMP1MMP3
SCHEMBL5405235 0.84 MMP1 (0.39) MMEACEECE1MMP1MMP3
SCHEMBL5399084 0.79 ECE1 (0.51) MMEACEECE1MMP1MMP3
SCHEMBL5399088 0.79 ECE1 (0.51) MMEACEECE1MMP1MMP3
SCHEMBL5409480 0.79 ECE1 (0.51) MMEACEECE1MMP1MMP3
SCHEMBL5399015 0.79 ECE1 (0.48) MMEACEECE1MMP9LOX
SCHEMBL5410253 0.79 ECE1 (0.48) MMEACEECE1MMP9LOX

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 5 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
US-20020040146-A1 Pyrrolidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2002-04-04 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 (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 MME 100/4885ACE 85/4885ECE1 4/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 MME 100/4885ACE 85/4885ECE1 4/4885
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 MME 44/4885ACE 40/4885ECE1 33/4885

“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.