SCHEMBL7810195

SCHEMBL7810195

CC(C)(C)OC(=O)NCCCOc1ccc(OCC(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.67
CA1 P00915 5/20 0.67
CA2 P00918 5/20 0.67
CA9 Q16790 5/20 0.67
SUCNR1 Q9BXA5 8/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
PDK2 Q15119 1/20 0.47
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL21068676 0.96 CA12 (0.66) CA12CA1CA2CA9SUCNR1
SCHEMBL3174253 0.88 CA1 (0.53) CA12CA1CA2CA9SUCNR1
SCHEMBL24920672 0.87 CA12 (0.67) CA12CA1CA2CA9SUCNR1
SCHEMBL917117 0.87 CA1 (0.54) CA12CA1CA2CA9SUCNR1
SCHEMBL14811632 0.86 CA12 (0.64) CA12CA1CA2CA9SUCNR1
SCHEMBL7488414 0.86 CA12 (0.67) CA12CA1CA2CA9SUCNR1
SCHEMBL15672693 0.86 CA12 (0.70) CA12CA1CA2CA9SUCNR1
SCHEMBL4459617 0.85 CA12 (0.65) CA12CA1CA2CA9SUCNR1
SCHEMBL4427701 0.85 PTPN1 (0.52) CA12CA1CA2CA9SUCNR1
SCHEMBL15894974 0.84 CA12 (0.68) CA12CA1CA2CA9SUCNR1

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-20120108529-A1 PROTEASE INHIBITORS AMPLYX PHARMACEUTICALS, INC. 2012-05-03 US disclosed
WO-2010132852-A2 PROTEASE INHIBITORS AMPLYX PHARMACEUTICALS INC. (US) 2010-11-18 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-20120108529-A1 PROTEASE INHIBITORS SERPINB1, PREP, DNPEP CA12 2693/4885CA1 943/4885CA2 2215/4885

“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.