SCHEMBL4081377

SCHEMBL4081377

COC(=O)CN(C(=O)OC(C)(C)C)P(=O)(OC)OC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.34
CA12 O43570 2/20 0.34
CA2 P00918 2/20 0.34
CA1 P00915 1/20 0.33
DGAT1 O75907 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL6120240 0.84 TSHR (0.36) TSHR
SCHEMBL646025 0.75 CA14 (0.38) CA14CA12CA2CA1DGAT1
SCHEMBL20262979 0.74 CA14 (0.42) CA14CA12CA2CA1DGAT1
SCHEMBL7023795 0.73 CA14 (0.39) CA14CA12CA2CA1DGAT1
SCHEMBL1688828 0.72 CA14 (0.41) CA14CA12CA2CA1DGAT1
SCHEMBL16400136 0.71 DGAT1 (0.34) DGAT1HDAC1HDAC2HDAC6
SCHEMBL15253867 0.70 CA14 (0.40) CA14CA12CA2CA1DGAT1
SCHEMBL883067 0.70 CA2 (0.39) CA14CA12CA2CA1DGAT1
SCHEMBL4805641 0.69 ABCB1 (0.47)
SCHEMBL2528429 0.69 KDM1A (0.42) HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023747-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2009-01-22 US disclosed
EP-1899336-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-03-19 EP disclosed
WO-2007006714-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 WO disclosed
WO-2007006716-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 WO disclosed
WO-2006064286-A1 CATHEPSIN S INHIBITORS MEDIVIR UK LTD (GB) 2006-06-22 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-20090023747-A1 Cysteine Protease Inhibitors CTSK, CTSS, CTSZ CA14 356/4885CA12 518/4885CA2 157/4885

“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.