SCHEMBL270450

SCHEMBL270450

CCN(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
EPHX1 P07099 1/20 0.43
ALDH1A1 P00352 3/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GFER P55789 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
SCHEMBL28888901 0.93 TDP1 (0.46) TDP1KMT2AMEN1GAAMAOA
SCHEMBL15889841 0.93 TDP1 (0.54) TDP1KMT2AMEN1GAAMAOA
SCHEMBL8398778 0.91 TDP1 (0.44) TDP1KMT2AMEN1GAAMAOA
SCHEMBL12482641 0.90 TDP1 (0.56) TDP1KMT2AMEN1GAAMAOA
SCHEMBL16312638 0.89 TDP1 (0.43) TDP1KMT2AMEN1GAAMAOA
SCHEMBL1404483 0.89 KMT2A (0.46) TDP1KMT2AMEN1GAAMAOA
SCHEMBL11346435 0.87 CA12 (0.50) TDP1KMT2AMEN1GAAMAOA
SCHEMBL12609401 0.87 TDP1 (0.48) TDP1KMT2AMEN1GAAMAOA
SCHEMBL4119513 0.86 TDP1 (0.46) TDP1KMT2AMEN1GAAMAOA
SCHEMBL28425597 0.86 TDP1 (0.62) TDP1KMT2AMEN1GAAMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741938-B2 Compounds that are useful for improving pharmacokinetics ABBVIE INC. (US) 2014-06-03 US disclosed
US-20130317071-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS ABBVIE INC (US) 2013-11-28 US disclosed
US-8524753-B2 Compounds that are useful for improving pharmacokinetics ABBVIE INC. (US) 2013-09-03 US disclosed
US-20120184559-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS ABBOTT LABORATORIES (US) 2012-07-19 US disclosed
US-8133892-B2 Compounds that are useful for improving pharmacokinetics ABBOTT LABORATORIES (US) 2012-03-13 US disclosed
US-20100280248-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS ABBOTT LABORATORIES (US) 2010-11-04 US disclosed
US-7786153-B2 Compounds that are useful for improving pharmacokinetics ABBOTT LABORATORIES INC. (US) 2010-08-31 US disclosed
US-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics ABBVIE INC. 2006-09-07 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 (4 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-20120184559-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 TDP1 1849/4885KMT2A 2435/4885MEN1 2756/4885
US-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics CYP11B1, CYP11B2, CYP7A1 TDP1 1849/4885KMT2A 2435/4885MEN1 2756/4885
US-20100280248-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 TDP1 1849/4885KMT2A 2435/4885MEN1 2756/4885
US-20130317071-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 TDP1 1849/4885KMT2A 2435/4885MEN1 2756/4885

“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.