SCHEMBL6279996

SCHEMBL6279996

O=C(CC(CCCc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CO)Cc1c[nH]cn1)NO

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 17/20 0.53
MMP3 P08254 9/20 0.53
MMP1 P03956 5/20 0.52
MMP7 P09237 1/20 0.52
MMP9 P14780 4/20 0.48
MMP14 P50281 3/20 0.47
MMP12 P39900 1/20 0.46

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
SCHEMBL6279998 1.00 MMP2 (0.53) MMP2MMP3MMP1MMP7MMP9
SCHEMBL7762293 0.92 MMP2 (0.45) MMP2MMP3MMP1MMP12
SCHEMBL7762298 0.92 MMP2 (0.45) MMP2MMP3MMP1MMP12
SCHEMBL7762305 0.92 MMP2 (0.45) MMP2MMP3MMP1MMP12
SCHEMBL6270672 0.86 MMP2 (0.65) MMP2MMP3MMP1MMP7MMP9
SCHEMBL6270662 0.86 MMP2 (0.65) MMP2MMP3MMP1MMP7MMP9
SCHEMBL7763650 0.83 MMP2 (0.59) MMP2MMP3MMP1MMP7MMP9
SCHEMBL7763651 0.83 MMP2 (0.59) MMP2MMP3MMP1MMP7MMP9
SCHEMBL7765144 0.83 MME (0.37) MMP2MMP3
SCHEMBL7765130 0.83 MME (0.37) MMP2MMP3

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 12 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-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP claimed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 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
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 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 MMP2 2/4885MMP3 5/4885MMP1 10/4885
US-20040235952-A1 Inhibitors of severe acute respiratory syndrome (SARS) 3C-like proteinase ACE, ACE2, PRSS3 MMP2 87/4885MMP3 35/4885MMP1 433/4885

“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.