SCHEMBL2244149

SCHEMBL2244149

CC(C)(C)OC(=O)N1CCc2[nH]c3c(S(C)(=O)=O)cccc3c2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.52
LMNA P02545 2/20 0.44
BAZ2B Q9UIF8 2/20 0.44
MAPT P10636 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CFTR P13569 2/20 0.43
F12 P00748 3/20 0.41
PABPC1 P11940 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ESR2 Q92731 1/20 0.41
MAPK1 P28482 1/20 0.40
NR1H2 P55055 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39

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
SCHEMBL21154244 0.85 CFTR (0.56) LMNABAZ2BMAPTHDAC1HDAC6
SCHEMBL5510072 0.85 F12 (0.47) LMNABAZ2BMAPTHDAC1HDAC6
SCHEMBL1841280 0.85 LMNA (0.46) LMNABAZ2BMAPTHDAC1HDAC6
SCHEMBL1843650 0.83 CTSK (0.51) CTSKLMNABAZ2BMAPTHDAC1
SCHEMBL1845995 0.83 CTSK (0.51) CTSKLMNABAZ2BMAPTHDAC1
SCHEMBL5512666 0.82 MAPT (0.53) LMNABAZ2BMAPTHDAC1HDAC6
SCHEMBL2241936 0.80 MAPT (0.69) LMNABAZ2BMAPTCFTRPABPC1
SCHEMBL29357331 0.80 MAPT (0.69) LMNABAZ2BMAPTCFTRPABPC1
SCHEMBL4791778 0.78 CGAS (0.45) LMNABAZ2BMAPTHDAC1HDAC6
SCHEMBL5511793 0.78 LMNA (0.51) LMNABAZ2BMAPTHDAC1HDAC6

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
EP-2170879-B1 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2013-01-16 EP disclosed
EP-2170879-B1 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2013-01-16 EP disclosed
US-8008279-B2 Compound—827 ASTRAZENECA AB (SE) 2011-08-30 US disclosed
US-8008279-B2 Compound—827 ASTRAZENECA AB (SE) 2011-08-30 US disclosed
US-8008279-B2 Compound—827 ASTRAZENECA AB (SE) 2011-08-30 US disclosed
EP-2170879-A1 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS AstraZeneca AB (SE) 2010-04-07 EP disclosed
WO-2009001129-A9 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2010-02-04 WO disclosed
WO-2009001129-A9 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2010-02-04 WO disclosed
US-20090012077-A1 Novel Compound - 827 ASTRAZENECA AB (SE) 2009-01-08 US disclosed
US-20090012077-A1 Novel Compound - 827 ASTRAZENECA AB (SE) 2009-01-08 US disclosed
US-20090012077-A1 Novel Compound - 827 ASTRAZENECA AB (SE) 2009-01-08 US disclosed
WO-2009001129-A1 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
WO-2009001129-A1 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO 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 (1 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-20090012077-A1 Novel Compound - 827 CTSS, CTSF, CTSB CTSK 5/4885LMNA 1358/4885BAZ2B 222/4885

“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.