SCHEMBL1108532

SCHEMBL1108532

C[C@@H](NC(=O)OC(C)(C)C)[C@@]1(C)NC(=O)NC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSK P43235 5/20 0.34
CTSS P25774 2/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GLA P06280 2/20 0.34
IDO1 P14902 1/20 0.34
EPHX2 P34913 1/20 0.33
GAA P10253 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
ADAM17 P78536 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL1108536 1.00 CA1 (0.39) CA1CA2CA7CYP2D6KMT2A
SCHEMBL24938359 0.77 CA1 (0.35) CA1CA2CA7CYP2D6KMT2A
SCHEMBL23367184 0.77 CA1 (0.35) CA1CA2CA7CYP2D6KMT2A
SCHEMBL1108573 0.75 IDO1 (0.41) CTSKCTSSIDO1EPHX2GAA
SCHEMBL1101321 0.75 IDO1 (0.41) CTSKCTSSIDO1EPHX2GAA
SCHEMBL30250318 0.73 CA1 (0.46) CA1CA2CA7CYP2D6KMT2A
SCHEMBL30250411 0.73 CA1 (0.46) CA1CA2CA7CYP2D6KMT2A
SCHEMBL22818553 0.73 CA1 (0.50) CA1CA2CA7CYP2D6KMT2A
SCHEMBL22818540 0.73 CA1 (0.50) CA1CA2CA7CYP2D6KMT2A
SCHEMBL24928028 0.69 ADAMTS5 (0.48) CA1CA2KMT2AEPHX2GAA

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 9 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
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 CA1 246/4885CA2 139/4885CA7 67/4885
US-20080262045-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 CA1 246/4885CA2 139/4885CA7 67/4885
US-20040138276-A1 Metalloproteinase inhibitors MMP9, MMP11, MMP7 CA1 335/4885CA2 199/4885CA7 119/4885

“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.