SCHEMBL5116465

SCHEMBL5116465

CCOC(=O)[C@H](Cc1cccc(OCc2ccc3ccccc3c2)c1)NC(=O)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.51
MME P08473 1/20 0.46
ACE P12821 1/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
XBP1 P17861 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PTPN1 P18031 3/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42

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
SCHEMBL5124481 0.87 TACR1 (0.48) TACR1MMEACECPA1ACE2
SCHEMBL5110334 0.85 TACR1 (0.47) TACR1MMEACECPA1ACE2
SCHEMBL5118162 0.80 NLRP3 (0.47) TACR1CTSLPOLB
SCHEMBL5118239 0.80 MME (0.45) TACR1MMEACECPA1ACE2
SCHEMBL5123698 0.79 TP53 (0.43) TACR1MMEACECPA1ACE2
SCHEMBL13013230 0.79 TP53 (0.52) TACR1GAARAB9APOLB
SCHEMBL5114514 0.78 MME (0.45) MMEACECPA1ACE2GAA
SCHEMBL5119121 0.78 MME (0.43) MMEACECPA1ACE2TDP1
SCHEMBL5110447 0.78 MME (0.45) MMEACECPA1ACE2GAA
SCHEMBL14576372 0.76 ACE (0.53) MMEACECPA1ACE2PTPN1

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 TACR1 1485/4885MME 4366/4885ACE 759/4885

“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.