SCHEMBL1108487

SCHEMBL1108487

O=C1NC(=O)[C@H](CNS(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 2/20 0.43
CACNA1B Q00975 2/20 0.43
MMP9 P14780 6/20 0.42
MMP2 P08253 5/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 2/20 0.41
CYP19A1 P11511 1/20 0.41
CXCR4 P61073 1/20 0.40
USP30 Q70CQ3 1/20 0.40
MMP3 P08254 4/20 0.40
MMP8 P22894 4/20 0.40
MMP13 P45452 4/20 0.40
MMP14 P50281 4/20 0.40
ADAMTS5 Q9UNA0 1/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 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
SCHEMBL1100719 1.00 CACNA1H (0.43) CACNA1HCACNA1BMMP9MMP2CA1
SCHEMBL1100926 0.90 PGR (0.44) CACNA1HCACNA1BMMP9MMP2CYP19A1
SCHEMBL1108519 0.90 PGR (0.44) CACNA1HCACNA1BMMP9MMP2CYP19A1
SCHEMBL1099297 0.90 CA1 (0.44) MMP9MMP2CA1CA2MMP1
SCHEMBL1108523 0.90 CA1 (0.44) MMP9MMP2CA1CA2MMP1
SCHEMBL3458504 0.87 CACNA1H (0.43) CACNA1HCACNA1BMMP9MMP2CA1
SCHEMBL1099498 0.86 MMP1 (0.50) MMP9MMP2MMP1CXCR4MMP13
SCHEMBL1108515 0.86 MMP1 (0.50) MMP9MMP2MMP1CXCR4MMP13
SCHEMBL1100869 0.86 MMP1 (0.50) MMP9MMP2MMP1CXCR4MMP3
SCHEMBL1108518 0.86 MMP1 (0.50) MMP9MMP2MMP1CXCR4MMP3

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 13 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-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 CACNA1H 3202/4885CACNA1B 1985/4885MMP9 1/4885
US-20080262045-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 CACNA1H 3202/4885CACNA1B 1985/4885MMP9 1/4885
US-20040138276-A1 Metalloproteinase inhibitors MMP9, MMP11, MMP7 CACNA1H 3257/4885CACNA1B 1630/4885MMP9 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.