SCHEMBL1964094

SCHEMBL1964094

CCOC(=O)c1cccc(Nc2cc(OC)ccc2OC)c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 5/20 0.55
SHMT2 P34897 1/20 0.54
AKR1C3 P42330 2/20 0.54
AKR1C2 P52895 2/20 0.54
TSHR P16473 2/20 0.53
HSD17B10 Q99714 2/20 0.53
MAPK1 P28482 2/20 0.53
LMNA P02545 5/20 0.52
HPGD P15428 4/20 0.52
MAPT P10636 4/20 0.52
KDM4E B2RXH2 2/20 0.52
ATM Q13315 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CDC25A P30304 1/20 0.48
CDC25C P30307 1/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 2/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL1963479 0.91 CDC25B (0.54) CDC25BAKR1C3AKR1C2TSHRHSD17B10
SCHEMBL1962918 0.87 CDC25B (0.59) CDC25BAKR1C3AKR1C2TSHRHSD17B10
SCHEMBL1964931 0.85 CDC25B (0.50) CDC25BAKR1C3AKR1C2TSHRLMNA
SCHEMBL1961347 0.84 AKR1C3 (0.57) CDC25BAKR1C3AKR1C2TSHRMAPK1
SCHEMBL1964221 0.84 ALDH1A1 (0.53) CDC25BAKR1C3AKR1C2HSD17B10MAPK1
SCHEMBL1961719 0.83 CTSV (0.55) CDC25BSHMT2LMNAHPGDMAPT
SCHEMBL1964092 0.82 AKR1C3 (0.55) AKR1C3AKR1C2TSHRHSD17B10LMNA
SCHEMBL1963248 0.81 CDC25B (0.44) CDC25BAKR1C3AKR1C2HSD17B10LMNA
SCHEMBL1964589 0.81 CTSV (0.52) CDC25BLMNAMAPTCDC25ACDC25C
SCHEMBL14376023 0.79 AKR1C3 (0.82) CDC25BAKR1C3AKR1C2TSHRHSD17B10

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 CDC25B 420/4885SHMT2 3605/4885AKR1C3 496/4885
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same SI, CYP3A5, CYP2D6 CDC25B 420/4885SHMT2 3605/4885AKR1C3 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.