SCHEMBL272967

SCHEMBL272967

CC(C)(C)OC(=O)N[C@@H](CN)COCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.63
CTSS P25774 4/20 0.60
PPARG P37231 2/20 0.58
ATM Q13315 1/20 0.54
SYK P43405 1/20 0.54
KLK7 P49862 2/20 0.50
KLK5 Q9Y337 2/20 0.50
RAB9A P51151 1/20 0.48
CA1 P00915 1/20 0.47
CTSK P43235 2/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
APP P05067 1/20 0.45
ACE P12821 1/20 0.45

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
SCHEMBL1001282 1.00 PPARA (0.63) PPARACTSSPPARGATMSYK
SCHEMBL1000339 1.00 PPARA (0.63) PPARACTSSPPARGATMSYK
SCHEMBL18407225 0.92 PPARA (0.69) PPARACTSSPPARGATMSYK
SCHEMBL3575301 0.90 PPARA (0.61) PPARACTSSPPARGATMSYK
SCHEMBL25467757 0.88 PPARA (0.65) PPARACTSSPPARGATMSYK
SCHEMBL1132570 0.88 PPARA (0.65) PPARACTSSPPARGATMSYK
SCHEMBL212796 0.88 PPARA (0.65) PPARACTSSPPARGATMSYK
SCHEMBL27538401 0.88 ATM (0.65) PPARACTSSPPARGATMSYK
SCHEMBL212797 0.88 PPARA (0.65) PPARACTSSPPARGATMSYK
SCHEMBL903406 0.88 ATM (0.65) PPARACTSSPPARGATMSYK

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 PPARA 4156/4885CTSS 2351/4885PPARG 3359/4885
US-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics CYP11B1, CYP11B2, CYP7A1 PPARA 4156/4885CTSS 2351/4885PPARG 3359/4885
US-20100280248-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 PPARA 4156/4885CTSS 2351/4885PPARG 3359/4885
US-20130317071-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 PPARA 4156/4885CTSS 2351/4885PPARG 3359/4885

“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.