SCHEMBL1965799

SCHEMBL1965799

CC(C)(C)OC(=O)NCc1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.50
KDM4A O75164 1/20 0.43
NQO2 P16083 1/20 0.43
HTT P42858 1/20 0.43
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
RPS6KA1 Q15418 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
IDO1 P14902 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NAMPT P43490 2/20 0.39
AKT1 P31749 2/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
HDAC1 Q13547 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 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
SCHEMBL28255694 0.89 KCNA5 (0.50) KCNA5KDM4ANQO2HTTCA12
SCHEMBL1808874 0.87 KCNA5 (0.56) KCNA5KDM4ANQO2HTTCA12
SCHEMBL6290025 0.86 KCNA5 (0.50) KCNA5KDM4ANQO2HTTCA12
SCHEMBL29883908 0.86 KCNA5 (0.45) KCNA5KDM4ANQO2HTTCA12
SCHEMBL26659635 0.86 KCNA5 (0.55) KCNA5KDM4ANQO2HTTCA12
SCHEMBL6097900 0.85 POLB (0.47) KCNA5KDM4ANQO2CA12CA1
SCHEMBL283455 0.85 KCNA5 (0.44) KCNA5KDM4ANQO2CA12CA1
Water SCHEMBL30667520 0.83 KCNA5 (0.53) KCNA5KDM4ANQO2HTTCA12
SCHEMBL28210982 0.82 KDM4A (0.47) KCNA5KDM4ANQO2CA12CA1
SCHEMBL2381485 0.82 KCNA5 (0.49) KCNA5KDM4ANQO2CA12CA1

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 KCNA5 3214/4885KDM4A 3924/4885NQO2 119/4885
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same SI, CYP3A5, CYP2D6 KCNA5 3214/4885KDM4A 3924/4885NQO2 119/4885

“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.