SCHEMBL2009916

SCHEMBL2009916

COc1cc(CNC(=O)OC(C)(C)C)ccc1-c1cc(Cl)cnc1OC

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.43
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41
ROCK2 O75116 3/20 0.41
ROCK1 Q13464 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PDCD1LG2 Q9BQ51 1/20 0.39
CD274 Q9NZQ7 1/20 0.39

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
SCHEMBL2003336 0.91 RIPK1 (0.39) NAMPTGAAL3MBTL1FFAR4SCN5A
SCHEMBL2011222 0.79 GPBAR1 (0.40) LMNAROCK2ROCK1FFAR4SCN5A
SCHEMBL15336756 0.78 TSHR (0.58) GAALMNATSHRALDH1A1
SCHEMBL24838807 0.75 ALDH1A1 (0.51) L3MBTL1TSHRALDH1A1
SCHEMBL10165058 0.75 ALDH1A1 (0.51) ROCK2ROCK1ALDH1A1
SCHEMBL2574214 0.74 CYP1A2 (0.56) TSHRALDH1A1
SCHEMBL8232973 0.73 ALDH1A1 (0.56) LMNAL3MBTL1ALDH1A1
SCHEMBL5718761 0.73 ALDH1A1 (0.51) NAMPTL3MBTL1TSHRALDH1A1
SCHEMBL12231328 0.73 ALDH1A1 (0.51) NAMPTL3MBTL1TSHRALDH1A1
SCHEMBL2948042 0.72 ALDH1A1 (0.50) L3MBTL1TSHRALDH1A1

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 NAMPT 4461/4885GAA 3832/4885LMNA 3879/4885

“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.