SCHEMBL2529175

SCHEMBL2529175

Cc1ccc(F)cc1S(=O)(=O)Oc1ccc(C(O)CN(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
AOC3 Q16853 2/20 0.35
MEP1B Q16820 1/20 0.34
STS P08842 2/20 0.33
POLB P06746 1/20 0.32
PDK2 Q15119 1/20 0.32
AKR1C3 P42330 1/20 0.31
LMNA P02545 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNJ6 P48051 1/20 0.31
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31
KAT6A Q92794 1/20 0.30
KAT5 Q92993 1/20 0.30
P2RX7 Q99572 1/20 0.30
MMP13 P45452 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2527332 0.90 LMNA (0.39) ALDH1A1MAPTAOC3POLBLMNA
SCHEMBL2528446 0.89 ALDH1A1 (0.39) ALDH1A1MAPTAOC3PDK2HTR2A
SCHEMBL2526409 0.87 AOC3 (0.34) ALDH1A1AOC3PDK2HTR2AHTR2C
SCHEMBL2532879 0.86 AKR1C3 (0.42) ALDH1A1MAPTAOC3AKR1C3P2RX7
SCHEMBL2528497 0.84 HTR6 (0.35) ALDH1A1MAPTAOC3PDK2P2RX7
SCHEMBL2523211 0.83 AKR1C3 (0.40) ALDH1A1MAPTAOC3AKR1C3P2RX7
SCHEMBL2530277 0.83 ALPL (0.38) ALDH1A1MAPTAOC3POLBLMNA
SCHEMBL2523351 0.83 MEN1 (0.34) MAPTAOC3PDK2LMNAMMP13
SCHEMBL2526963 0.83 MEN1 (0.46) AOC3POLBPDK2HTR2CSLC6A4
SCHEMBL2527008 0.83 LMNA (0.46) MAPTAOC3PDK2LMNAMMP13

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 3248/4885MAPT 2834/4885AOC3 2105/4885

“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.