SCHEMBL2524960

SCHEMBL2524960

Cc1ccc(S(=O)(=O)Oc2ccc(C(O)CN(C)C(=O)OC(C)(C)C)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALPL P05186 2/20 0.38
ALPI P09923 2/20 0.38
HTT P42858 1/20 0.37
EGFR P00533 1/20 0.37
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 2/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL2529810 0.90 ALPL (0.45) MAPTLMNANPSR1ALPLALPI
SCHEMBL2531949 0.86 APEX1 (0.38) ALDH1A1MEN1KMT2AMAPTALPL
SCHEMBL2528802 0.86 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL2528482 0.85 ALOX5 (0.46) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL2529164 0.83 PPARG (0.44) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL2530793 0.82 F2 (0.37) MAPTEGFRTDP1
SCHEMBL2532710 0.82 ENPP1 (0.41) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL2529269 0.82 APEX1 (0.47) MEN1KMT2AEGFR
SCHEMBL2529738 0.82 EGFR (0.36) ALDH1A1MEN1KMT2AMAPTEGFR
SCHEMBL2529241 0.81 EGFR (0.40) ALDH1A1MEN1KMT2AMAPTHTT

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 ALDH1A1 3248/4885MEN1 1126/4885KMT2A 2317/4885

“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.