SCHEMBL3169231

SCHEMBL3169231

CC(=O)N1CCC(NNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.47
EPHX1 P07099 3/20 0.44
CTSK P43235 2/20 0.43
CYP2C9 P11712 1/20 0.42
HSD11B1 P28845 1/20 0.42
GAA P10253 1/20 0.42
BTK Q06187 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNA3 P22001 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
SCHEMBL27866761 0.91 HSD11B1 (0.46) EPHX2EPHX1CTSKCYP2C9HSD11B1
SCHEMBL12276428 0.89 EPHX1 (0.46) EPHX1CTSKCYP2C9HSD11B1GAA
Acetic Acid SCHEMBL25356110 0.88 EPHX1 (0.56) EPHX2EPHX1CYP2C9HSD11B1ALDH1A1
SCHEMBL8202964 0.88 EPHX1 (0.43) EPHX1CTSKCYP2C9HSD11B1GAA
SCHEMBL13208 0.88 EPHX1 (0.58) EPHX2EPHX1CTSKCYP2C9HSD11B1
SCHEMBL12539827 0.84 CTSK (0.46) EPHX1CTSKCYP2C9HSD11B1GAA
SCHEMBL89460 0.84 EPHX2 (0.56) EPHX2EPHX1CTSKCYP2C9HSD11B1
SCHEMBL18061088 0.84 CA1 (0.49) EPHX1CTSKCYP2C9HSD11B1GAA
SCHEMBL4510271 0.84 EPHX1 (0.43) EPHX2EPHX1CTSKCYP2C9HSD11B1
SCHEMBL18061103 0.83 HSD11B1 (0.47) EPHX1CTSKCYP2C9HSD11B1GAA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009956-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited , a corporation 2010-01-14 US disclosed
US-20100009956-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited , a corporation 2010-01-14 US disclosed
US-20100009956-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited , a corporation 2010-01-14 US disclosed
EP-2077841-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited (GB) 2009-07-15 EP disclosed
EP-2030621-A1 Novel substituted pyrimidines as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2009-03-04 EP disclosed
EP-1947091-A1 Pyrimidyl nitrile derivatives as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2008-07-23 EP disclosed
EP-1947091-A1 Pyrimidyl nitrile derivatives as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2008-07-23 EP disclosed
WO-2008052934-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-05-08 WO disclosed
EP-1918284-A1 Hydrazinopyrimidines as cysteine protease inhibitors GLAXO GROUP (GB) 2008-05-07 EP disclosed
EP-1918284-A1 Hydrazinopyrimidines as cysteine protease inhibitors GLAXO GROUP (GB) 2008-05-07 EP 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-20100009956-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS SERPINB1, CTRL, PRSS1 EPHX2 990/4885EPHX1 578/4885CTSK 65/4885

“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.