SCHEMBL1108564

SCHEMBL1108564

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.41
MMP2 P08253 8/20 0.40
MMP9 P14780 6/20 0.40
MMP13 P45452 5/20 0.40
MMP1 P03956 5/20 0.40
MMP3 P08254 4/20 0.40
MMP7 P09237 3/20 0.40
ADAMTS4 O75173 2/20 0.40
MMP8 P22894 2/20 0.39
MMP14 P50281 2/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
MMP12 P39900 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 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
SCHEMBL1108545 1.00 PGR (0.41) PGRMMP2MMP9MMP13MMP1
SCHEMBL1108557 0.89 FFAR1 (0.42) MMP2MMP9MMP13MMP1MMP3
SCHEMBL1108587 0.89 MMP2 (0.44) PGRMMP2MMP9MMP13MMP1
SCHEMBL1108586 0.89 MMP9 (0.51) PGRMMP2MMP9MMP13MMP1
SCHEMBL1108577 0.89 MMP2 (0.44) PGRMMP2MMP9MMP13MMP1
SCHEMBL1108501 0.89 MMP9 (0.51) PGRMMP2MMP9MMP13MMP1
SCHEMBL1108541 0.89 FFAR1 (0.42) MMP2MMP9MMP13MMP1MMP3
SCHEMBL1108547 0.88 FFAR1 (0.41) MMP2MMP9MMP13MMP1MMP3
SCHEMBL13127079 0.88 MMP9 (0.40) MMP2MMP9MMP13MMP1MMP3
SCHEMBL1108575 0.88 FFAR1 (0.41) MMP2MMP9MMP13MMP1MMP3

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 11 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
EP-1370537-B1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2010-10-13 EP 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-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 PGR 3527/4885MMP2 9/4885MMP9 1/4885
US-20080262045-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 PGR 3527/4885MMP2 9/4885MMP9 1/4885
US-20040138276-A1 Metalloproteinase inhibitors MMP9, MMP11, MMP7 PGR 2805/4885MMP2 8/4885MMP9 1/4885

“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.