SCHEMBL1108523

SCHEMBL1108523

O=C1NC(=O)[C@H](CNS(=O)(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP1 P03956 2/20 0.43
CYP19A1 P11511 1/20 0.43
KIF11 P52732 2/20 0.41
ADAMTS5 Q9UNA0 1/20 0.40
MMP9 P14780 3/20 0.39
MMP7 P09237 2/20 0.39
MMP2 P08253 2/20 0.39
MMP3 P08254 1/20 0.39
MMP13 P45452 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM1A O60341 2/20 0.39
LMNA P02545 1/20 0.39
MMP10 P09238 1/20 0.39
DRD3 P35462 1/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 3/20 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
SCHEMBL1099297 1.00 CA1 (0.44) CA1CA2MMP1CYP19A1KIF11
SCHEMBL1100719 0.90 CACNA1H (0.43) CA1CA2MMP1CYP19A1ADAMTS5
SCHEMBL1108487 0.90 CACNA1H (0.43) CA1CA2MMP1CYP19A1ADAMTS5
SCHEMBL1100880 0.86 MEP1B (0.46) CA1CA2CYP19A1ADAMTS5SMN1; SMN2
SCHEMBL1108519 0.80 PGR (0.44) CYP19A1KIF11ADAMTS5MMP9MMP2
SCHEMBL1100926 0.80 PGR (0.44) CYP19A1KIF11ADAMTS5MMP9MMP2
SCHEMBL10067736 0.79 ALDH1A1 (0.49) CA2CYP19A1SMN1; SMN2MEN1KMT2A
SCHEMBL3458504 0.77 CACNA1H (0.43) CA1CA2MMP1CYP19A1ADAMTS5
SCHEMBL1108515 0.75 MMP1 (0.50) MMP1ADAMTS5MMP9MMP2MMP13
SCHEMBL1099498 0.75 MMP1 (0.50) MMP1ADAMTS5MMP9MMP2MMP13

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 8 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-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-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 CA1 246/4885CA2 139/4885MMP1 8/4885
US-20080262045-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 CA1 246/4885CA2 139/4885MMP1 8/4885
US-20040138276-A1 Metalloproteinase inhibitors MMP9, MMP11, MMP7 CA1 335/4885CA2 199/4885MMP1 11/4885

“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.