SCHEMBL6276800

SCHEMBL6276800

O=C(O)[C@@H]1CCCC[C@@H]1S(=O)(=O)CCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.49
MMP12 P39900 3/20 0.49
MMP3 P08254 5/20 0.47
MMP2 P08253 3/20 0.47
MMP9 P14780 3/20 0.47
MMP1 P03956 2/20 0.47
MMP8 P22894 5/20 0.47
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
TAAR1 Q96RJ0 2/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
FFAR4 Q5NUL3 2/20 0.43
FFAR1 O14842 1/20 0.42
NAAA Q02083 1/20 0.41
SCN9A Q15858 1/20 0.41

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
SCHEMBL6401384 0.92 TAAR1 (0.52) MMP13MMP12MMP3MMP2MMP9
SCHEMBL6271220 0.88 MMP13 (0.57) MMP13MMP12MMP3MMP2MMP9
SCHEMBL6802716 0.88 MMP13 (0.57) MMP13MMP12MMP3MMP2MMP9
SCHEMBL6268870 0.79 MMP8 (0.54) MMP13MMP12MMP3MMP2MMP9
SCHEMBL6266747 0.79 MMP8 (0.54) MMP13MMP12MMP3MMP2MMP9
SCHEMBL8318611 0.79 MMP8 (0.54) MMP13MMP12MMP3MMP2MMP9
SCHEMBL6268860 0.79 MMP8 (0.54) MMP13MMP12MMP3MMP2MMP9
SCHEMBL6266744 0.79 MMP8 (0.54) MMP13MMP12MMP3MMP2MMP9
SCHEMBL8318918 0.77 MMP13 (0.49) MMP13MMP12MMP3MMP2MMP9
SCHEMBL6270678 0.75 MMP13 (0.53) MMP13MMP12MMP3MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229817-A1 Inhibitors of Hepatitis C virus, compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-11-18 US claimed
EP-1596846-A2 INHIBITORS OF HEPATITIS C VIRUS, COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2005-11-23 EP disclosed
US-20040229817-A1 Inhibitors of Hepatitis C virus, compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-11-18 US 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 (1 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 MMP13 6/4885MMP12 24/4885MMP3 5/4885

“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.