SCHEMBL2003336

SCHEMBL2003336

COc1ncc(Cl)cc1-c1ccc(CNC(=O)OC(C)(C)C)cc1OC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
NAMPT P43490 1/20 0.38
GAA P10253 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
RORC P51449 7/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRM2 Q14416 1/20 0.38
MAPK1 P28482 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
TSHR P16473 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
SCHEMBL2009916 0.91 NAMPT (0.43) NAMPTGAAFFAR4L3MBTL1SCN5A
SCHEMBL2010372 0.79 GPBAR1 (0.39) GPBAR1FFAR4RORCSCN5ASCN9A
SCHEMBL2011222 0.77 GPBAR1 (0.40) GPBAR1FFAR4SCN5ASCN9A
SCHEMBL29130060 0.75 TSHR (0.51) GAARORCL3MBTL1GRM2SCN5A
SCHEMBL27780155 0.73 GPBAR1 (0.41) GPBAR1FFAR4RORCSCN5ASCN9A
SCHEMBL15336756 0.72 TSHR (0.58) GAATSHR
SCHEMBL10165058 0.72 ALDH1A1 (0.51) GRM2
SCHEMBL8217999 0.70 SCN10A (0.39) RORCL3MBTL1
SCHEMBL30625715 0.70 CHRM4 (0.48) NAMPTL3MBTL1GRM2
SCHEMBL10264167 0.70 CHRM4 (0.48) NAMPTL3MBTL1GRM2

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 RIPK1 4535/4885GPBAR1 65/4885NAMPT 4461/4885

“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.