SCHEMBL1108553

SCHEMBL1108553

C[C@@H](NS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)[C@]1(C)NC(=O)NC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.43
MMP9 P14780 7/20 0.43
MMP2 P08253 6/20 0.43
MMP3 P08254 4/20 0.43
MMP1 P03956 2/20 0.43
MMP7 P09237 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ADAMTS4 O75173 3/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1B Q00975 1/20 0.40
MMP14 P50281 4/20 0.40
MMP8 P22894 3/20 0.40
MMP12 P39900 1/20 0.39
SCN9A Q15858 1/20 0.39
MOGAT2 Q3SYC2 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37

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
SCHEMBL1108555 1.00 MMP13 (0.43) MMP13MMP9MMP2MMP3MMP1
SCHEMBL1108575 0.88 FFAR1 (0.41) MMP13MMP9MMP2MMP3MMP1
SCHEMBL1108547 0.88 FFAR1 (0.41) MMP13MMP9MMP2MMP3MMP1
SCHEMBL1108494 0.87 MMP1 (0.40) MMP13MMP9MMP2MMP3MMP1
SCHEMBL1108502 0.87 MMP1 (0.40) MMP13MMP9MMP2MMP3MMP1
SCHEMBL1108586 0.86 MMP9 (0.51) MMP13MMP9MMP2MMP3MMP1
SCHEMBL1108557 0.86 FFAR1 (0.42) MMP13MMP9MMP2MMP3MMP1
SCHEMBL1108501 0.86 MMP9 (0.51) MMP13MMP9MMP2MMP3MMP1
SCHEMBL1108577 0.86 MMP2 (0.44) MMP13MMP9MMP2MMP3MMP1
SCHEMBL1108587 0.86 MMP2 (0.44) MMP13MMP9MMP2MMP3MMP1

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
US-8153673-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2012-04-10 US disclosed
US-8153673-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2012-04-10 US disclosed
US-20100273849-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2010-10-28 US disclosed
US-20100273849-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2010-10-28 US disclosed
US-7666892-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2010-02-23 US disclosed
US-7666892-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2010-02-23 US disclosed
US-20080262045-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-10-23 US disclosed
US-20080262045-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-10-23 US disclosed
US-7368465-B2 Respiratory system disorders; antiarthritic agents; anticancer agents; bone disorders ASTRAZENECA AB (SE) 2008-05-06 US disclosed
US-7368465-B2 Respiratory system disorders; antiarthritic agents; anticancer agents; bone disorders ASTRAZENECA AB (SE) 2008-05-06 US disclosed
US-20040138276-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-15 US disclosed
US-20040138276-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-15 US 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-20100273849-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 MMP13 6/4885MMP9 1/4885MMP2 9/4885
US-20080262045-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 MMP13 6/4885MMP9 1/4885MMP2 9/4885
US-20040138276-A1 Metalloproteinase inhibitors MMP9, MMP11, MMP7 MMP13 7/4885MMP9 1/4885MMP2 8/4885

“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.