Sugi Predict

Sugi Predict / Compounds / SCHEMBL1965798

SCHEMBL1965798

SCHEMBL1965798

CC(C)(C)OC(=O)C(N)c1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ ALOX15 P16050 2/20 0.36
▸ SLC7A5 Q01650 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ MYC P01106 1/20 0.33
▸ GRM1 Q13255 1/20 0.33
▸ SLC37A4 O43826 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ ITGB7 P26010 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33

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
SCHEMBL2159034 0.87 MAPT (0.42) CA12CA1CA2CA7CA9
SCHEMBL283454 0.86 CA12 (0.37) CA12CA1CA2CA7CA9
SCHEMBL498660 0.82 MYC (0.42) ALOX15MAPTHDAC8MYCAAK1
SCHEMBL27522347 0.78 GRM1 (0.47) ALOX15MAPTHDAC8GRM1KDM4E
SCHEMBL27593234 0.76 ACE2 (0.40) SLC7A5MAPTHDAC8GRM1AAK1
SCHEMBL6192174 0.76 GAA (0.42) SLC7A5MAPTAAK1HSD17B10ALDH1A1
SCHEMBL27766677 0.75 ALDH1A1 (0.46) CA1CA2CA9ALOX15MAPT
SCHEMBL9221150 0.75 ALDH1A1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL7203924 0.74 AAK1 (0.39) SLC7A5ITGA4ITGB7AAK1HSD17B10
SCHEMBL29168896 0.74 GABRA1 (0.41) SLC7A5ITGA4ITGB7AAK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919892-B1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2013-08-14 — — EP disclosed
US-8481568-B2 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2013-07-09 — — US disclosed
US-20110144158-A1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SEPRACOR INC. 2011-06-16 — — US disclosed
EP-1919892-A2 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2008-05-14 — — EP disclosed
WO-2007027527-A2 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2007-03-08 — — WO disclosed
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION 2007-03-01 — — 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-20110144158-A1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SI, CYP3A5, CYP2D6 CA12 1057/4885CA1 633/4885CA2 751/4885
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same SI, CYP3A5, CYP2D6 CA12 1057/4885CA1 633/4885CA2 751/4885

“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.