SCHEMBL6266744

SCHEMBL6266744

O=C(NO)[C@H]1CCCC[C@@H]1S(=O)(=O)CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 6/20 0.54
MMP13 P45452 6/20 0.54
MMP12 P39900 4/20 0.54
MMP1 P03956 4/20 0.54
MMP7 P09237 2/20 0.54
MMP9 P14780 5/20 0.50
MMP2 P08253 3/20 0.50
TAAR1 Q96RJ0 2/20 0.48
MMP3 P08254 1/20 0.46
CTSK P43235 1/20 0.44
FKBP1A P62942 2/20 0.44

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
SCHEMBL6268870 1.00 MMP8 (0.54) MMP8MMP13MMP12MMP1MMP7
SCHEMBL6266747 1.00 MMP8 (0.54) MMP8MMP13MMP12MMP1MMP7
SCHEMBL6268860 1.00 MMP8 (0.54) MMP8MMP13MMP12MMP1MMP7
SCHEMBL8318611 1.00 MMP8 (0.54) MMP8MMP13MMP12MMP1MMP7
SCHEMBL6271220 0.93 MMP13 (0.57) MMP8MMP13MMP12MMP1MMP7
SCHEMBL6802716 0.93 MMP13 (0.57) MMP8MMP13MMP12MMP1MMP7
SCHEMBL27539860 0.92 MMP13 (0.49) MMP8MMP13MMP12MMP1MMP7
SCHEMBL6401384 0.86 TAAR1 (0.52) MMP8MMP13MMP12MMP1MMP7
SCHEMBL6276800 0.79 MMP13 (0.49) MMP8MMP13MMP12MMP1MMP9
SCHEMBL6732244 0.78 MMP9 (0.52) MMP8MMP13MMP12MMP1MMP9

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 MMP8 13/4885MMP13 6/4885MMP12 24/4885
US-20040235952-A1 Inhibitors of severe acute respiratory syndrome (SARS) 3C-like proteinase ACE, ACE2, PRSS3 MMP8 265/4885MMP13 108/4885MMP12 481/4885

“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.