SCHEMBL1964167

SCHEMBL1964167

CCOC(=O)c1cccc(Nc2ccc(C(C)(C)C)cc2)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.48
CDC25B P30305 5/20 0.46
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
CDC25A P30304 1/20 0.45
CDC25C P30307 1/20 0.45
LMNA P02545 1/20 0.45
PPARG P37231 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
ATM Q13315 1/20 0.44
TSHR P16473 2/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
MAPT P10636 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL1963500 0.87 ATM (0.55) CDC25BCDC25ACDC25CLMNAATM
SCHEMBL1962184 0.85 AKR1C3 (0.56) AKR1C3AKR1C2PPARGNR1H4KMT2A
SCHEMBL1964221 0.84 ALDH1A1 (0.53) DHODHCDC25BAKR1C3AKR1C2CDC25A
SCHEMBL1962162 0.83 CDC25B (0.46) CDC25BCDC25ACDC25CLMNAATM
SCHEMBL1962425 0.83 MAPT (0.48) CDC25BCDC25ACDC25CLMNAATM
SCHEMBL1961864 0.80 CDC25B (0.53) DHODHCDC25BCDC25ACDC25CLMNA
SCHEMBL1964166 0.80 MAPT (0.54) AKR1C3AKR1C2LMNAPPARGNR1H4
SCHEMBL1961719 0.79 CTSV (0.55) CDC25BCDC25ACDC25CLMNAKMT2A
SCHEMBL1963158 0.79 TDP1 (0.44) CDC25BCDC25ACDC25CLMNAATM
SCHEMBL1964234 0.78 HRH3 (0.50) CDC25BCDC25ACDC25CLMNAATM

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 DHODH 482/4885CDC25B 420/4885AKR1C3 496/4885
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same SI, CYP3A5, CYP2D6 DHODH 482/4885CDC25B 420/4885AKR1C3 496/4885

“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.