SCHEMBL2532676

SCHEMBL2532676

CN(CC(O)c1ccc(OS(=O)(=O)c2cccc(Cl)c2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PGR P06401 1/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F2 P00734 1/20 0.35
HTR6 P50406 1/20 0.34
MMP13 P45452 1/20 0.34

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
SCHEMBL2526981 0.91 MEN1 (0.35) STSKMT2ATDP1MEN1MMP13
SCHEMBL2530793 0.89 F2 (0.37) TDP1NPC1RAB9AF2HTR6
SCHEMBL2528497 0.88 HTR6 (0.35) ALDH1A1TDP1NPC1RAB9AHTR6
SCHEMBL2530411 0.88 MMP13 (0.36) KMT2ATDP1MEN1NPC1RAB9A
SCHEMBL2528584 0.88 MEN1 (0.45) KMT2AALDH1A1TDP1MEN1MMP13
SCHEMBL2529218 0.88 TDP1 (0.44) KMT2AALDH1A1TDP1MEN1NPC1
SCHEMBL2529269 0.87 APEX1 (0.47) KMT2AMEN1MMP13
SCHEMBL2525351 0.87 GAA (0.39) KMT2AALDH1A1GAAMEN1SMN1; SMN2
SCHEMBL2529925 0.87 APEX1 (0.37) KMT2AALDH1A1MEN1MMP13
SCHEMBL2528539 0.86 P2RX7 (0.38) GAAPGR

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 STS 1571/4885KMT2A 2317/4885ALDH1A1 3248/4885

“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.