SCHEMBL5118239

SCHEMBL5118239

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

nearest known ligand 0.45

Predicted protein targets (top 14)

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
TP53 P04637 1/20 0.40
BACE1 P56817 1/20 0.40
POLB P06746 1/20 0.40
SCN9A Q15858 1/20 0.40
TSHR P16473 1/20 0.39
MDM4 O15151 1/20 0.39
MDM2 Q00987 1/20 0.39
FFAR1 O14842 1/20 0.39
TACR1 P25103 1/20 0.39
PTGES O14684 1/20 0.39

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 0.92 MME (0.45) MMEACECPA1ACE2TP53
SCHEMBL5114514 0.92 MME (0.45) MMEACECPA1ACE2TP53
SCHEMBL8730077 0.89 BACE1 (0.43) MMEACECPA1ACE2BACE1
SCHEMBL5124481 0.89 TACR1 (0.48) MMEACECPA1ACE2TP53
SCHEMBL5119121 0.88 MME (0.43) MMEACECPA1ACE2TP53
SCHEMBL5118162 0.86 NLRP3 (0.47) TP53POLBTACR1
SCHEMBL8814812 0.84 SCN9A (0.40) TP53BACE1SCN9AMDM4MDM2
SCHEMBL5110730 0.84 TP53 (0.42) MMEACECPA1ACE2TP53
SCHEMBL5123698 0.82 TP53 (0.43) MMEACECPA1ACE2TP53
SCHEMBL5116465 0.80 TACR1 (0.51) MMEACECPA1ACE2POLB

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.