SCHEMBL6401343

SCHEMBL6401343

[CH2][C@@H](COC)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
CTSK P43235 10/20 0.41
CYP2D6 P10635 1/20 0.41
CTSS P25774 5/20 0.40
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
SYK P43405 1/20 0.37
CA12 O43570 1/20 0.37
CA14 Q9ULX7 1/20 0.37
APLNR P35414 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL14842502 0.82 CA1 (0.44) CA2CA1CA7CTSKCYP2D6
SCHEMBL3389057 0.81 CA1 (0.49) CA2CA1CA7CTSKCYP2D6
SCHEMBL19617925 0.81 CA1 (0.49) CA2CA1CA7CTSKCYP2D6
SCHEMBL19136288 0.81 CTSK (0.49) CA2CA1CA7CTSKCYP2D6
SCHEMBL27759553 0.80 CYP2D6 (0.47) CA2CA1CA7CTSKCYP2D6
SCHEMBL311537 0.79 CA1 (0.51) CA2CA1CA7CTSKCYP2D6
SCHEMBL2078537 0.79 CA1 (0.51) CA2CA1CA7CTSKCYP2D6
SCHEMBL15371473 0.79 CA1 (0.51) CA2CA1CA7CTSKCYP2D6
SCHEMBL6326275 0.78 CA1 (0.53) CA2CA1CA7CTSKCYP2D6
SCHEMBL6398108 0.78 CA1 (0.53) CA2CA1CA7CTSKCYP2D6

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-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides SMITHKLINE BEECHAM PLC 2005-12-29 US disclosed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 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 (2 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-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides CD22, CD2, NEU3 CA2 1247/4885CA1 1017/4885CA7 2273/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 CA2 1162/4885CA1 659/4885CA7 1898/4885

“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.