SCHEMBL271237

SCHEMBL271237

CC(C)(C)OC(=O)NC(CNC[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.67
BCL2 P10415 1/20 0.54
PTPN1 P18031 2/20 0.52
APP P05067 4/20 0.51
SYK P43405 1/20 0.49
YAP1 P46937 3/20 0.49
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
HDAC8 Q9BY41 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
REN P00797 1/20 0.47
PPARA Q07869 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
SCHEMBL271238 1.00 ATM (0.67) ATMBCL2PTPN1APPSYK
SCHEMBL272432 0.97 ATM (0.71) ATMBCL2PTPN1APPSYK
SCHEMBL272433 0.97 ATM (0.71) ATMBCL2PTPN1APPSYK
SCHEMBL7544238 0.88 ATM (0.61) ATMBCL2PTPN1APPSYK
SCHEMBL7428446 0.88 ATM (0.61) ATMBCL2PTPN1APPSYK
SCHEMBL5410539 0.87 ATM (0.59) ATMBCL2PTPN1APPSYK
SCHEMBL272406 0.87 ATM (0.59) ATMBCL2PTPN1APPSYK
SCHEMBL272806 0.87 ATM (0.59) ATMBCL2PTPN1APPSYK
SCHEMBL270486 0.86 ATM (0.87) ATMAPPSYKCTSSCTSK
SCHEMBL270485 0.86 ATM (0.87) ATMAPPSYKCTSSCTSK

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.