SCHEMBL1108539

SCHEMBL1108539

Cc1ccc(Oc2ccc(S(=O)(=O)N[C@H](C)[C@@H]3NC(=O)NC3=O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
CA2 P00918 5/20 0.40
CA1 P00915 4/20 0.40
MMP13 P45452 3/20 0.40
MMP9 P14780 3/20 0.40
GFER P55789 1/20 0.39
CA9 Q16790 4/20 0.39
ALDH1A1 P00352 2/20 0.39
CA12 O43570 2/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
CA7 P43166 1/20 0.39
MMP2 P08253 3/20 0.38
MMP1 P03956 2/20 0.38
MMP3 P08254 2/20 0.38
MMP7 P09237 2/20 0.38
ADAMTS4 O75173 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL1108540 0.91 PGR (0.42) CA2MMP13MMP9CA9ALDH1A1
SCHEMBL1108567 0.91 MMP2 (0.43) CA2CA1MMP13MMP9CA9
SCHEMBL1108570 0.91 MMP9 (0.51) FFAR1MMP13MMP9ALDH1A1HTT
SCHEMBL1108533 0.89 FFAR1 (0.41) FFAR1CA2CA1MMP13MMP9
SCHEMBL1108478 0.89 MMP1 (0.41) MMP13MMP9ALDH1A1HTTSMN1; SMN2
SCHEMBL1108481 0.87 CACNA1H (0.43) CA2CA1MMP13MMP9ALDH1A1
SCHEMBL7138393 0.86 MMP9 (0.37) MMP13MMP9ALDH1A1HTTSMN1; SMN2
SCHEMBL1108534 0.86 CACNA1H (0.43) MMP13MMP9HTTSMN1; SMN2LMNA
SCHEMBL13500326 0.82 ADAMTS4 (0.47) MMP13MMP9ALDH1A1TSHRHTT
SCHEMBL1108574 0.81 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MMP1ADAMTS4POLB

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 FFAR1 2750/4885CA2 139/4885CA1 246/4885
US-20080262045-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 FFAR1 2750/4885CA2 139/4885CA1 246/4885
US-20040138276-A1 Metalloproteinase inhibitors MMP9, MMP11, MMP7 FFAR1 2897/4885CA2 199/4885CA1 335/4885

“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.