SCHEMBL2531949

SCHEMBL2531949

Cc1ccc(S(=O)(=O)Oc2ccc(C(O)CN(C)C(=O)OC(C)(C)C)cc2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.38
EGFR P00533 3/20 0.35
KAT6A Q92794 1/20 0.34
KAT5 Q92993 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MMP13 P45452 1/20 0.33
F2R P25116 1/20 0.33
ENPP3 O14638 2/20 0.32
ENPP1 P22413 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
SRC P12931 1/20 0.32
PPARG P37231 1/20 0.32
P2RX7 Q99572 2/20 0.32
ENPP2 Q13822 1/20 0.31

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
SCHEMBL2529269 0.92 APEX1 (0.47) APEX1EGFRKAT6AKAT5MMP13
SCHEMBL2529925 0.90 APEX1 (0.37) APEX1EGFRKAT6AKAT5ALDH1A1
SCHEMBL2530277 0.88 ALPL (0.38) KAT6AKAT5ALDH1A1MAPTMMP13
SCHEMBL2528584 0.87 MEN1 (0.45) EGFRALDH1A1MAPTMMP13ENPP3
SCHEMBL2528798 0.86 CA1 (0.42) APEX1ALDH1A1MAPTMMP13MEN1
SCHEMBL2529738 0.86 EGFR (0.36) EGFRKAT6AKAT5ALDH1A1MAPT
SCHEMBL2526981 0.86 MEN1 (0.35) EGFRKAT6AKAT5MMP13F2R
SCHEMBL2524960 0.86 ALDH1A1 (0.42) EGFRALDH1A1MAPTMEN1KMT2A
SCHEMBL2526645 0.86 CCR2 (0.38) APEX1KAT6AKAT5P2RX7
SCHEMBL2529164 0.86 PPARG (0.44) EGFRALDH1A1MAPTMMP13ENPP3

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 APEX1 3923/4885EGFR 3070/4885KAT6A 1834/4885

“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.