SCHEMBL273465

SCHEMBL273465

CC(C)(C)OC(=O)NC(CN)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.58
BCL2 P10415 1/20 0.56
PTPN1 P18031 2/20 0.55
LTA4H P09960 3/20 0.51
HDAC8 Q9BY41 1/20 0.49
SYK P43405 1/20 0.49
PPARA Q07869 1/20 0.49
REN P00797 1/20 0.49
YAP1 P46937 1/20 0.48
APP P05067 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
PPARG P37231 1/20 0.48
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
CTSS P25774 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
LAP3 P28838 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
SCHEMBL273464 1.00 ATM (0.58) ATMBCL2PTPN1LTA4HHDAC8
SCHEMBL5410539 0.90 ATM (0.59) ATMBCL2PTPN1LTA4HHDAC8
SCHEMBL272806 0.90 ATM (0.59) ATMBCL2PTPN1LTA4HHDAC8
SCHEMBL272406 0.90 ATM (0.59) ATMBCL2PTPN1LTA4HHDAC8
SCHEMBL9270973 0.89 CTSB (0.51) ATMBCL2PTPN1HDAC8PPARA
SCHEMBL273006 0.89 ATM (0.70) ATMSYKPPARAAPPPPARG
SCHEMBL6312621 0.89 ATM (0.70) ATMSYKPPARAAPPPPARG
SCHEMBL30334225 0.89 ATM (0.70) ATMSYKPPARAAPPPPARG
SCHEMBL272844 0.89 ATM (0.70) ATMSYKPPARAAPPPPARG
SCHEMBL12532787 0.89 ATM (0.58) ATMBCL2PTPN1LTA4HHDAC8

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 ATM 4747/4885BCL2 4347/4885PTPN1 3084/4885
US-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics CYP11B1, CYP11B2, CYP7A1 ATM 4747/4885BCL2 4347/4885PTPN1 3084/4885
US-20100280248-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 ATM 4747/4885BCL2 4347/4885PTPN1 3084/4885
US-20130317071-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 ATM 4747/4885BCL2 4347/4885PTPN1 3084/4885

“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.