SCHEMBL272474

SCHEMBL272474

CCN(CC(CC1CCCCC1)NC(=O)OC(C)(C)C)CC(CC1CCCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.51
CTSS P25774 2/20 0.51
CYP3A4 P08684 2/20 0.47
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
AAK1 Q2M2I8 2/20 0.39
EPHX1 P07099 1/20 0.39
CTSL P07711 3/20 0.38
CTSB P07858 3/20 0.38
CTSH P09668 2/20 0.38
CACNA1B Q00975 1/20 0.38
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.36
REN P00797 1/20 0.35

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
SCHEMBL1864549 0.87 CTSK (0.53) CTSKCTSSCYP3A4HDAC4HDAC1
SCHEMBL1864551 0.87 CTSK (0.53) CTSKCTSSCYP3A4HDAC4HDAC1
SCHEMBL8269725 0.85 CTSK (0.56) CTSKCTSSCYP3A4HDAC4HDAC1
SCHEMBL7264708 0.83 CTSK (0.54) CTSKCTSSCYP3A4HDAC4HDAC1
SCHEMBL8233824 0.83 CTSK (0.54) CTSKCTSSCYP3A4HDAC4HDAC1
SCHEMBL57254 0.82 CTSK (0.56) CTSKCTSSCYP3A4HDAC4HDAC1
SCHEMBL55961 0.82 CTSK (0.56) CTSKCTSSCYP3A4HDAC4HDAC1
SCHEMBL1424703 0.82 CTSK (0.56) CTSKCTSSCYP3A4HDAC4HDAC1
SCHEMBL13256213 0.82 PSEN1 (0.50) CTSKCTSSCYP3A4HDAC4HDAC1
SCHEMBL3599920 0.82 CTSK (0.51) CTSKCTSSCYP3A4HDAC4HDAC1

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 CTSK 2452/4885CTSS 2351/4885CYP3A4 18/4885
US-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics CYP11B1, CYP11B2, CYP7A1 CTSK 2452/4885CTSS 2351/4885CYP3A4 18/4885
US-20100280248-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 CTSK 2452/4885CTSS 2351/4885CYP3A4 18/4885
US-20130317071-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 CTSK 2452/4885CTSS 2351/4885CYP3A4 18/4885

“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.