SCHEMBL6816189

SCHEMBL6816189

N[C@@H](Cc1cnc[nH]1)C(=O)OCOCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.58
CYP3A4 P08684 1/20 0.56
SLC7A5 Q01650 1/20 0.56
HRH4 Q9H3N8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
NLN Q9BYT8 1/20 0.47

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
SCHEMBL713213 0.90 LTA4H (0.62) LTA4HCYP3A4SLC7A5NLN
SCHEMBL13061496 0.90 LTA4H (0.62) LTA4HCYP3A4SLC7A5NLN
Hydrochloric Acid SCHEMBL27320108 0.89 LTA4H (0.61) LTA4HCYP3A4SLC7A5
SCHEMBL3626018 0.83 CYP3A4 (0.58) LTA4HCYP3A4SLC7A5NLN
SCHEMBL1007042 0.83 CYP3A4 (0.61) LTA4HCYP3A4SLC7A5NLN
SCHEMBL28231837 0.80 CYP3A4 (0.57) LTA4HCYP3A4SLC7A5NLN
SCHEMBL6114085 0.79 CYP3A4 (0.62) LTA4HCYP3A4SLC7A5NLN
Phenylalanine SCHEMBL28074950 0.78 SLC7A5 (0.80) LTA4HCYP3A4SLC7A5NLN
SCHEMBL27492929 0.78 CYP3A4 (0.58) LTA4HCYP3A4SLC7A5NLN
SCHEMBL388562 0.77 CYP3A4 (0.73) CYP3A4SLC7A5HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040204348-A1 Cyclic peptide ligands that target urokinase plasminogen activator receptor THE ANGSTROM PHARMACEUTICALS, INC. 2004-10-14 US disclosed
EP-1144604-A1 CYCLIC PEPTIDE LIGANDS THAT TARGET UROKINASE PLASMINOGEN ACTIVATOR RECEPTOR, THEIR PHARMACEUTICAL COMPOSITIONS AND USE Angstrom Pharmaceuticals, inc. (US) 2001-10-17 EP disclosed
WO-2000026353-A1 CYCLIC PEPTIDE LIGANDS THAT TARGET UROKINASE PLASMINOGEN ACTIVATOR RECEPTOR, THEIR PHARMACEUTICAL COMPOSITIONS AND USE ANGSTROM PHARMACEUTICALS, INC. (US) 2000-05-11 WO disclosed
EP-0941235-A1 CYCLIC PEPTIDES THAT BIND TO UROKINASE-TYPE PLASMINOGEN ACTIVATOR RECEPTOR Angstrom Pharmaceuticals, inc. (US) 1999-09-15 EP disclosed
WO-1998021230-A1 CYCLIC PEPTIDES THAT BIND TO UROKINASE-TYPE PLASMINOGEN ACTIVATOR RECEPTOR ANGSTROM PHARMACEUTICALS, INC. (US) 1998-05-22 WO disclosed
CN-1109780-A Sustained-release preparation of anti-endothelin substance TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-10-11 CN 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-20040204348-A1 Cyclic peptide ligands that target urokinase plasminogen activator receptor PLAUR, PLAU, PLG LTA4H 1929/4885CYP3A4 4707/4885SLC7A5 2719/4885

“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.