SCHEMBL271499

SCHEMBL271499

CCN(C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.64
CYP3A4 P08684 8/20 0.60
APP P05067 4/20 0.53
CTSS P25774 2/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSK P43235 1/20 0.52
SYK P43405 1/20 0.51
ACE P12821 1/20 0.50
ALDH1A1 P00352 1/20 0.47
AKT1 P31749 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
SCHEMBL273008 1.00 ATM (0.64) ATMCYP3A4APPCTSSCTSL
SCHEMBL271498 1.00 ATM (0.64) ATMCYP3A4APPCTSSCTSL
SCHEMBL271480 0.90 CYP3A4 (0.56) ATMCYP3A4SYK
SCHEMBL271479 0.90 CYP3A4 (0.56) ATMCYP3A4SYK
SCHEMBL273370 0.89 ATM (0.62) ATMCYP3A4APPCTSSCTSL
SCHEMBL272072 0.89 CTSS (0.52) ATMCYP3A4APPCTSSCTSK
SCHEMBL272071 0.89 CTSS (0.52) ATMCYP3A4APPCTSSCTSK
SCHEMBL7425236 0.88 CYP3A4 (0.54) ATMCYP3A4APPSYKACE
SCHEMBL7425238 0.88 CYP3A4 (0.54) ATMCYP3A4APPSYKACE
SCHEMBL271556 0.87 CYP3A4 (0.54) ATMCYP3A4CTSSCTSKSYK

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 4747/4885CYP3A4 18/4885APP 4332/4885
US-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics CYP11B1, CYP11B2, CYP7A1 ATM 4747/4885CYP3A4 18/4885APP 4332/4885
US-20100280248-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 ATM 4747/4885CYP3A4 18/4885APP 4332/4885
US-20130317071-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 ATM 4747/4885CYP3A4 18/4885APP 4332/4885

“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.