SCHEMBL1108573

SCHEMBL1108573

C[C@@H](NC(=O)OC(C)(C)C)[C@]1(c2ccccc2)NC(=O)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
CTSK P43235 5/20 0.39
CTSS P25774 4/20 0.39
ATM Q13315 1/20 0.39
GAA P10253 1/20 0.38
MAPK10 P53779 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CACNA1F O60840 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
SCN1A P35498 1/20 0.37
SCN4A P35499 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
CACNA1D Q01668 1/20 0.37
KCNH2 Q12809 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
SCHEMBL1101321 1.00 IDO1 (0.41) IDO1CTSKCTSSATMGAA
SCHEMBL1108536 0.75 CA1 (0.39) IDO1CTSKCTSSGAACTSL
SCHEMBL1108532 0.75 CA1 (0.39) IDO1CTSKCTSSGAACTSL
SCHEMBL23367184 0.70 CA1 (0.35) IDO1CTSKCTSSGAACTSL
SCHEMBL24938359 0.70 CA1 (0.35) IDO1CTSKCTSSGAACTSL
SCHEMBL6346032 0.67 CTSK (0.62) CTSKCTSSATMALDH1A1MAPT
SCHEMBL12203593 0.67 CTSK (0.62) CTSKCTSSATMALDH1A1MAPT
SCHEMBL6346030 0.67 CTSK (0.62) CTSKCTSSATMALDH1A1MAPT
SCHEMBL14820895 0.65 CTSK (0.57) CTSKCTSSATMCTSLCTSB
SCHEMBL8295708 0.65 CTSK (0.53) CTSKCTSSATMALDH1A1MAPT

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 IDO1 218/4885CTSK 258/4885CTSS 65/4885
US-20080262045-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 IDO1 218/4885CTSK 258/4885CTSS 65/4885
US-20040138276-A1 Metalloproteinase inhibitors MMP9, MMP11, MMP7 IDO1 687/4885CTSK 142/4885CTSS 57/4885

“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.