SCHEMBL2004333

SCHEMBL2004333

COc1ncc(F)cc1-c1ccc(C(C)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.45
GPBAR1 Q8TDU6 1/20 0.44
CTSA P10619 2/20 0.43
PTGS1 P23219 1/20 0.43
SQOR Q9Y6N5 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GRM7 Q14831 1/20 0.40
HSD17B1 P14061 1/20 0.40
POLQ O75417 1/20 0.39
SGK1 O00141 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
WDR5 P61964 1/20 0.38
MAOB P27338 2/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
KIF11 P52732 1/20 0.38

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
SCHEMBL4970482 0.80 SQOR (0.45) GPBAR1CTSASQORGRM7POLQ
SCHEMBL2003302 0.77 CTSA (0.39) GPBAR1CTSASQORGRM7POLQ
SCHEMBL16554351 0.77 CTSA (0.55) CTSASQOR
SCHEMBL2005877 0.75 TAAR1 (0.41) CTSASQORGRM7MAOBFFAR4
SCHEMBL2004849 0.74 CIT (0.41) GPBAR1CTSASQORGRM7PIK3CA
SCHEMBL2589049 0.73 POLQ (0.39) GPBAR1SMN1; SMN2POLQALDH1A1MAOB
SCHEMBL16294143 0.72 SCN9A (0.43) GRM7MAOBPIK3CAMTOR
SCHEMBL2560846 0.71 PDGFRB (0.48) SMN1; SMN2HSD17B1SGK1
SCHEMBL20792389 0.71 NOTUM (0.38) GPBAR1CTSAGRM7POLQWDR5
SCHEMBL16113459 0.71 CTSA (0.44) CTSASQORPIK3CAFFAR4

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 4 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
EP-1965785-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. Organon (NL) 2008-09-10 EP disclosed
WO-2007071638-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. ORGANON (NL) 2007-06-28 WO 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 SYK 3493/4885GPBAR1 65/4885CTSA 3923/4885

“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.