SCHEMBL2005456

SCHEMBL2005456

COc1ncccc1-c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.51
PGR P06401 2/20 0.49
DHODH Q02127 1/20 0.42
ABCB1 P08183 1/20 0.41
MAPK8 P45983 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CTSK P43235 3/20 0.40
PTGS2 P35354 1/20 0.40
PCSK9 Q8NBP7 1/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CTSS P25774 1/20 0.38
ABL1 P00519 1/20 0.38
USP2 O75604 1/20 0.37

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
SCHEMBL2005461 1.00 NR3C1 (0.51) NR3C1PGRDHODHABCB1MAPK8
SCHEMBL2006299 0.85 CTSK (0.43) DHODHABCB1MAPK8CTSKUSP2
SCHEMBL2006301 0.85 CTSK (0.43) DHODHABCB1MAPK8CTSKUSP2
SCHEMBL8216304 0.79 ROCK2 (0.53) ABCB1CTSKMAPK1
SCHEMBL9930794 0.79 ROCK2 (0.53) ABCB1CTSKMAPK1
SCHEMBL9930795 0.79 ROCK2 (0.53) ABCB1CTSKMAPK1
SCHEMBL2005890 0.79 CA1 (0.40) CTSKCTSSMAPTMAPK1
SCHEMBL2005891 0.79 CA1 (0.40) CTSKCTSSMAPTMAPK1
SCHEMBL10233172 0.76 ABCB1 (0.55) ABCB1
SCHEMBL13715338 0.76 CTSK (0.57) CTSKPTGS2CTSSUSP2MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960365-B2 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2011-06-14 US disclosed
US-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2007-06-28 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 (1 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-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor NR3C1, NR3C2, MC2R NR3C1 1/4885PGR 131/4885DHODH 4494/4885

“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.