SCHEMBL2525221

SCHEMBL2525221

Cc1cc(Br)ccc1S(=O)(=O)Oc1ccc(C(O)CN(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
AAK1 Q2M2I8 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
UTS2R Q9UKP6 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
POLB P06746 1/20 0.32
MMP13 P45452 1/20 0.32
AOC3 Q16853 1/20 0.32
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
NCEH1 Q6PIU2 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
P2RX7 Q99572 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL2532856 0.89 MEN1 (0.36) AAK1MEN1KMT2AUTS2RMMP13
SCHEMBL2531550 0.89 KMT2A (0.35) LMNAAAK1MEN1KMT2AMMP13
SCHEMBL2528887 0.89 MEN1 (0.34) AAK1MEN1KMT2AMMP13AOC3
SCHEMBL2530437 0.87 TSHR (0.39) AAK1MEN1KMT2APOLBAOC3
SCHEMBL2532682 0.86 PTPN1 (0.38) AAK1MEN1KMT2A
SCHEMBL2526637 0.86 P2RX7 (0.40) MEN1KMT2AMMP13AOC3FPR3
SCHEMBL2530411 0.84 MMP13 (0.36) AAK1MEN1KMT2AMMP13AOC3
SCHEMBL2527332 0.84 LMNA (0.39) LMNAMEN1KMT2AUTS2RPOLB
SCHEMBL2530277 0.83 ALPL (0.38) LMNAMEN1KMT2APOLBMMP13
SCHEMBL2531098 0.83 NPSR1 (0.40) MEN1KMT2APOLBMMP13AOC3

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 LMNA 2981/4885AAK1 2130/4885MEN1 1126/4885

“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.