SCHEMBL5406275

SCHEMBL5406275

COc1ccc(CS[C@@H]2C[C@@H](CSCc3ccccc3)N(S(C)(=O)=O)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.43
MMP2 P08253 3/20 0.43
MMP3 P08254 3/20 0.43
MMP9 P14780 3/20 0.43
MMP13 P45452 3/20 0.43
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SIGMAR1 Q99720 4/20 0.39
CRBN Q96SW2 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.36
LTA4H P09960 1/20 0.35

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
SCHEMBL5401130 0.85 CASP3 (0.41) MMP1MMP3MMP9MMP13MAPT
SCHEMBL5401128 0.85 CASP3 (0.41) MMP1MMP3MMP9MMP13MAPT
SCHEMBL5407554 0.85 HTT (0.43) MMP1MMP2MMP3MMP9MMP13
SCHEMBL5407550 0.85 HTT (0.43) MMP1MMP2MMP3MMP9MMP13
SCHEMBL5405046 0.84 SIGMAR1 (0.38) MMP1MMP2MMP3MMP9MMP13
SCHEMBL5405049 0.84 SIGMAR1 (0.38) MMP1MMP2MMP3MMP9MMP13
SCHEMBL5409843 0.83 APLNR (0.37) MMP1MMP2MMP3MMP9MMP13
SCHEMBL5409836 0.83 APLNR (0.37) MMP1MMP2MMP3MMP9MMP13
SCHEMBL7140147 0.82 HTT (0.38) MMP1MMP2MMP3MMP9MMP13
SCHEMBL7140145 0.82 HTT (0.38) MMP1MMP2MMP3MMP9MMP13

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 MMP1 22/4885MMP2 58/4885MMP3 3/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 MMP1 22/4885MMP2 58/4885MMP3 3/4885
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 MMP1 1/4885MMP2 15/4885MMP3 6/4885

“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.