SCHEMBL345365

SCHEMBL345365

CCCC(=O)CC(NC(=O)OC(C)c1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.48
LPAR1 Q92633 2/20 0.40
LPAR3 Q9UBY5 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MME P08473 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
HTT P42858 1/20 0.39
OPRM1 P35372 2/20 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
SCHEMBL347305 0.85 LPAR1 (0.43) CTSKLPAR1LPAR3ALDH1A1TSHR
SCHEMBL345954 0.84 CTSK (0.46) CTSKLPAR1LPAR3HCAR2HTT
SCHEMBL345120 0.83 CTSK (0.46) CTSKLPAR1LPAR3HCAR2HTT
SCHEMBL9830863 0.81 CTSK (0.48) CTSKLPAR1LPAR3MMEHCAR2
SCHEMBL9830861 0.81 CTSK (0.48) CTSKLPAR1LPAR3MMEHCAR2
SCHEMBL4401852 0.78 SIRT1 (0.54) CTSKALDH1A1
SCHEMBL4401857 0.78 SIRT1 (0.54) CTSKALDH1A1
SCHEMBL346061 0.77 CTSK (0.46) CTSKLPAR1LPAR3MMEHTT
SCHEMBL10654631 0.75 PPARA (0.46) CTSKLPAR1LPAR3HCAR2HTT
SCHEMBL371133 0.75 CTSK (0.44) CTSKLPAR1LPAR3HCAR2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2012-01-19 US disclosed
US-8039480-B2 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2011-10-18 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 (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-20120015933-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CTSK 87/4885LPAR1 4648/4885LPAR3 4842/4885

“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.