SCHEMBL5114514

SCHEMBL5114514

CCOC(=O)[C@H](Cc1cccc(Oc2ccc(OC)cc2)c1)NC(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.45
ACE P12821 1/20 0.45
CPA1 P15085 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MMP13 P45452 1/20 0.42
MTNR1B P49286 2/20 0.42
CTSL P07711 1/20 0.42
HTRA1 Q92743 2/20 0.41
FPR2 P25090 1/20 0.41
MTNR1A P48039 1/20 0.41
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
SCN9A Q15858 1/20 0.40

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
SCHEMBL5110447 1.00 MME (0.45) MMEACECPA1ACE2ALDH1A1
SCHEMBL5118239 0.92 MME (0.45) MMEACECPA1ACE2POLB
SCHEMBL5124481 0.89 TACR1 (0.48) MMEACECPA1ACE2POLB
SCHEMBL5119121 0.88 MME (0.43) MMEACECPA1ACE2TP53
SCHEMBL5110730 0.84 TP53 (0.42) MMEACECPA1ACE2CTSL
SCHEMBL5123698 0.82 TP53 (0.43) MMEACECPA1ACE2POLB
SCHEMBL5118162 0.81 NLRP3 (0.47) POLBCTSLTP53
SCHEMBL8730077 0.80 BACE1 (0.43) MMEACECPA1ACE2SCN9A
SCHEMBL13013230 0.79 TP53 (0.52) POLBTP53GAARAB9A
Trifluoroacetic Acid SCHEMBL17097 0.79 POLB (0.52) ALDH1A1POLBKDM4EMTNR1BCTSL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481965-B1 AROMATIC AMINO ACID DERIVATIVES AND MEDICINAL COMPOSITIONS ENDO HITOSHI (JP) 2015-07-29 EP disclosed
US-7345068-B2 Aromatic amino acid derivatives and medicinal compositions Endou, Hitoshi (JP) 2008-03-18 US disclosed
US-20050119256-A1 Aromatic amino acid derivates and medicinal compositions HITOSHI ENDOU (JP) 2005-06-02 US disclosed
EP-1481965-A1 AROMATIC AMINO ACID DERIVATIVES AND MEDICINAL COMPOSITIONS Endo, Hitoshi (JP) 2004-12-01 EP 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-20050119256-A1 Aromatic amino acid derivates and medicinal compositions SLC7A1, SLC1A5, SLC7A5 MME 4366/4885ACE 759/4885CPA1 2580/4885

“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.