SCHEMBL2010372

SCHEMBL2010372

COc1ncc(Cl)cc1-c1ccc(CN)cc1OC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.39
FFAR4 Q5NUL3 1/20 0.38
CETP P11597 1/20 0.37
RORC P51449 4/20 0.37
KCNN4 O15554 2/20 0.36
METAP2 P50579 2/20 0.36
SCN9A Q15858 3/20 0.35
SCN5A Q14524 1/20 0.35
NSD2 O96028 1/20 0.34
CSNK2A1 P68400 2/20 0.33
LOX P28300 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.33
CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL2011220 0.84 GPBAR1 (0.41) GPBAR1FFAR4CETPMETAP2SCN9A
SCHEMBL27780155 0.82 GPBAR1 (0.41) GPBAR1FFAR4CETPRORCMETAP2
SCHEMBL2003336 0.79 RIPK1 (0.39) GPBAR1FFAR4RORCSCN9ASCN5A
SCHEMBL2004015 0.73 NR3C1 (0.44) GPBAR1CETPSCN9A
SCHEMBL2011222 0.72 GPBAR1 (0.40) GPBAR1FFAR4SCN9ASCN5APDCD1LG2
SCHEMBL4550847 0.71 ATM (0.51)
Hydrochloric Acid SCHEMBL2713358 0.70 ATM (0.50) CSNK2A1
SCHEMBL30176060 0.69 CSNK2A1 (0.47) KCNN4CSNK2A1
SCHEMBL4374816 0.69 CSNK2A1 (0.47) KCNN4CSNK2A1
SCHEMBL2009916 0.68 NAMPT (0.43) FFAR4SCN9ASCN5APDCD1LG2CD274

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 GPBAR1 65/4885FFAR4 84/4885CETP 3998/4885

“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.