SCHEMBL2528798

SCHEMBL2528798

CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C(O)CN(C)C(=O)OC(C)(C)C)cc2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 2/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 6/20 0.39
MAPT P10636 2/20 0.39
RECQL P46063 1/20 0.39
PDK1 Q15118 5/20 0.36
PDK2 Q15119 5/20 0.36
PDK3 Q15120 5/20 0.36
PDK4 Q16654 5/20 0.36
CA12 O43570 1/20 0.35
APEX1 P27695 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MMP13 P45452 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
SCHEMBL2529269 0.88 APEX1 (0.47) KMT2AMEN1APEX1MMP13
SCHEMBL2531949 0.86 APEX1 (0.38) KMT2AMEN1ALDH1A1MAPTAPEX1
SCHEMBL2529925 0.85 APEX1 (0.37) KMT2AMEN1ALDH1A1APEX1MMP13
SCHEMBL2528584 0.83 MEN1 (0.45) KMT2AMEN1ALDH1A1MAPTRECQL
SCHEMBL2526981 0.82 MEN1 (0.35) KMT2AMEN1MMP13
SCHEMBL2526645 0.82 CCR2 (0.38) CA1CA2CA9APEX1
SCHEMBL2531504 0.82 EGFR (0.43) CA1CA2CA9KMT2AMEN1
SCHEMBL2527392 0.82 APEX1 (0.47) CA2KMT2AMEN1CA12APEX1
SCHEMBL2532676 0.82 STS (0.36) KMT2AMEN1ALDH1A1SMN1; SMN2MMP13
SCHEMBL2529810 0.81 ALPL (0.45) MAPTLMNA

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 CA1 1869/4885CA2 1756/4885CA9 1059/4885

“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.