SCHEMBL2525222

SCHEMBL2525222

CN(CC(c1ccc(OC(=O)c2ccc(C(F)(F)F)cc2)cc1)c1nccn1C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.37
PRSS1 P07477 1/20 0.36
ACR P10323 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
UTS2R Q9UKP6 1/20 0.34
LIPE Q05469 1/20 0.34
MAPT P10636 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TACR1 P25103 1/20 0.33
NPC1 O15118 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LDHA P00338 2/20 0.33

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
SCHEMBL2533497 0.93 MAPT (0.41) PRSS1ACRKMT2AMEN1MAPT
SCHEMBL2531002 0.92 KMT2A (0.37) FFAR1KMT2AMEN1MAPTSLC6A2
SCHEMBL2526970 0.91 CYP1A2 (0.38) FFAR1PRSS1ACRKMT2AMAPT
SCHEMBL2529260 0.91 SLC6A2 (0.42) PRSS1ACRKMT2AMEN1MAPT
SCHEMBL2527399 0.91 SLC6A2 (0.41) KMT2AMAPTSLC6A2SLC6A4SLC6A3
SCHEMBL2527012 0.90 TP53 (0.36) KMT2AMEN1MAPTSLC6A2SLC6A4
SCHEMBL2532739 0.90 HTT (0.36) FFAR1KMT2AMEN1UTS2RMAPT
SCHEMBL2528707 0.90 SLC6A2 (0.34) KMT2AMAPTSLC6A2SLC6A4SLC6A3
SCHEMBL2529918 0.88 ALDH1A1 (0.37) FFAR1PRSS1ACRKMT2AMAPT
SCHEMBL2527638 0.88 SLC6A4 (0.33) KMT2AMAPTSLC6A2SLC6A4SLC6A3

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 FFAR1 60/4885PRSS1 542/4885ACR 674/4885

“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.