SCHEMBL6267902

SCHEMBL6267902

COc1ccc(S(=O)(=O)N2CC[S+]([O-])C(C)(C)C2C(=O)NO)cc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 19/20 0.67
▸ MMP3 P08254 19/20 0.67
▸ MMP13 P45452 13/20 0.67
▸ MMP2 P08253 12/20 0.67
▸ MMP9 P14780 13/20 0.66
▸ MMP7 P09237 13/20 0.66
▸ MMP8 P22894 8/20 0.66
▸ MMP12 P39900 1/20 0.59

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
SCHEMBL6863639 0.89 MMP1 (0.56) MMP1MMP3MMP13MMP2MMP9
SCHEMBL6336327 0.88 MMP1 (0.56) MMP1MMP3MMP13MMP2MMP9
SCHEMBL6339420 0.87 MMP1 (0.68) MMP1MMP3MMP13MMP2MMP9
SCHEMBL6499220 0.84 ADAM17 (0.70) MMP1MMP3MMP13MMP2MMP9
SCHEMBL6506286 0.84 ADAM17 (0.70) MMP1MMP3MMP13MMP2MMP9
SCHEMBL7763224 0.84 MMP1 (0.55) MMP1MMP3MMP13MMP2MMP9
SCHEMBL6271303 0.84 MMP1 (0.55) MMP1MMP3MMP13MMP2MMP9
SCHEMBL7351911 0.79 MMP1 (1.00) MMP1MMP3MMP13MMP2MMP9
SCHEMBL6975635 0.79 MMP1 (1.00) MMP1MMP3MMP13MMP2MMP9
SCHEMBL7345291 0.78 MMP1 (0.67) MMP1MMP3MMP13MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1596846-A2 INHIBITORS OF HEPATITIS C VIRUS, COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2005-11-23 — — EP claimed
US-20040229817-A1 Inhibitors of Hepatitis C virus, compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-11-18 — — US claimed
WO-2004073599-A2 INHIBITORS OF HEPATITIS C VIRUS, COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2004-09-02 — — WO claimed
EP-1596846-A2 INHIBITORS OF HEPATITIS C VIRUS, COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2005-11-23 — — EP disclosed
US-20040235952-A1 Inhibitors of severe acute respiratory syndrome (SARS) 3C-like proteinase AGOURON PHARMACEUTICALS, INC. 2004-11-25 — — US disclosed
US-20040229817-A1 Inhibitors of Hepatitis C virus, compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-11-18 — — US disclosed
WO-2004093860-A1 INHIBITORS OF SARS RELATED CORONAVIRUS PROTEINASE PFIZER INC. (US) 2004-11-04 — — WO disclosed
WO-2004073599-A2 INHIBITORS OF HEPATITIS C VIRUS, COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2004-09-02 — — 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 (2 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-20040229817-A1 Inhibitors of Hepatitis C virus, compositions and treatments using the same TIMP3, MMP2, MMP7 MMP1 10/4885MMP3 5/4885MMP13 6/4885
US-20040235952-A1 Inhibitors of severe acute respiratory syndrome (SARS) 3C-like proteinase ACE, ACE2, PRSS3 MMP1 433/4885MMP3 35/4885MMP13 108/4885

“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.

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