SCHEMBL6741533

SCHEMBL6741533

CC(C)(C)NC(=O)c1cc(O)ccc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
APEX1 P27695 1/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
MAPT P10636 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL6740652 0.83 POLB (0.42) POLBAPEX1MAOAMAOBMAPT
SCHEMBL13958740 0.79 POLB (0.42) POLBAPEX1MAOAMAOBCA12
SCHEMBL6740430 0.77 MEN1 (0.55) POLBAPEX1MAOAMAOBMAPT
SCHEMBL31032851 0.74 ALDH1A1 (0.46) MAOBCA12CA1CA2CA7
SCHEMBL166743 0.73 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL1932450 0.72 MAPT (0.46) POLBMAPTKMT2AALDH1A1HTT
SCHEMBL1168193 0.71 CA12 (0.61) POLBMAOACA12CA1CA2
SCHEMBL162828 0.70 TSHR (0.54) CA12CA1CA2CA7CA9
SCHEMBL13377342 0.69 POLB (0.42) POLBAPEX1MAOAMAOBMAPT
SCHEMBL6748722 0.69 MAPT (0.61) POLBAPEX1MAOAMAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6696494-B2 HUMAN IMMUNODEFICIENCY VIRUS ENANTA PHARMACEUTICALS, INC. 2004-02-24 US disclosed
US-20030207934-A1 Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease ENANTA PHARMACEUTICALS, INC. 2003-11-06 US disclosed
WO-2003034989-A2 α-HYDROXYARYLBUTANAMINE INHIBITORS OF ASPARTYL PROTEASE ENANTA PHARMACEUTICALS, INC. (US) 2003-05-01 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-20030207934-A1 Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease DNPEP, ASPH, CTSC POLB 632/4885APEX1 3333/4885MAOA 1333/4885

“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.