SCHEMBL2529294

SCHEMBL2529294

CN(CC(O)c1ccc(OS(=O)(=O)c2ccc(C#N)cc2Cl)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
HSD11B1 P28845 4/20 0.35
TRPV4 Q9HBA0 7/20 0.35
F2R P25116 1/20 0.35
TBXA2R P21731 2/20 0.33
P2RX7 Q99572 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
KAT6A Q92794 1/20 0.32
KAT5 Q92993 1/20 0.32
AOC3 Q16853 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL2525203 0.88 ALDH1A1 (0.37) FFAR1TRPV4F2RAOC3
SCHEMBL2532856 0.86 MEN1 (0.36) HSD11B1F2RKAT6AKAT5AOC3
SCHEMBL2526409 0.86 AOC3 (0.34) F2RKAT6AKAT5AOC3
SCHEMBL2531737 0.86 P2RX7 (0.42) F2RP2RX7AOC3
SCHEMBL2529298 0.84 FFAR1 (0.34) FFAR1KAT6AKAT5
SCHEMBL2528539 0.84 P2RX7 (0.38) FFAR1F2RP2RX7
SCHEMBL2530277 0.84 ALPL (0.38) F2RKAT6AKAT5AOC3
SCHEMBL2528541 0.84 MEN1 (0.37) P2RX7
SCHEMBL2528064 0.82 ALDH1A1 (0.39) F2RAOC3
SCHEMBL2525209 0.81 F2 (0.38) HSD11B1F2RP2RX7

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-8039501-B2 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2011-10-18 US disclosed
US-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2009-01-29 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-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents HRH1, HRH3, HRH2 FFAR1 60/4885HSD11B1 2306/4885TRPV4 1388/4885

“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.