SCHEMBL271480

SCHEMBL271480

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.56
ATM Q13315 1/20 0.54
BCL2 P10415 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
PTPN1 P18031 2/20 0.52
SYK P43405 1/20 0.48
HDAC8 Q9BY41 1/20 0.46
REN P00797 1/20 0.46
ALOX5 P09917 1/20 0.46
PPARA Q07869 1/20 0.46
YAP1 P46937 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL271479 1.00 CYP3A4 (0.56) CYP3A4ATMBCL2L3MBTL1PTPN1
SCHEMBL7425238 0.98 CYP3A4 (0.54) CYP3A4ATMBCL2L3MBTL1PTPN1
SCHEMBL7425236 0.98 CYP3A4 (0.54) CYP3A4ATMBCL2L3MBTL1PTPN1
SCHEMBL271555 0.97 CYP3A4 (0.54) CYP3A4ATMBCL2L3MBTL1PTPN1
SCHEMBL271556 0.97 CYP3A4 (0.54) CYP3A4ATMBCL2L3MBTL1PTPN1
SCHEMBL271499 0.90 ATM (0.64) CYP3A4ATMSYK
SCHEMBL273008 0.90 ATM (0.64) CYP3A4ATMSYK
SCHEMBL271498 0.90 ATM (0.64) CYP3A4ATMSYK
SCHEMBL272406 0.86 ATM (0.59) CYP3A4ATMBCL2PTPN1SYK
SCHEMBL272806 0.86 ATM (0.59) CYP3A4ATMBCL2PTPN1SYK

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 7 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-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 (3 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 CYP3A4 18/4885ATM 4747/4885BCL2 4347/4885
US-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics CYP11B1, CYP11B2, CYP7A1 CYP3A4 18/4885ATM 4747/4885BCL2 4347/4885
US-20130317071-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 CYP3A4 18/4885ATM 4747/4885BCL2 4347/4885

“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.