SCHEMBL6808018

SCHEMBL6808018

CCOC(=O)[C@H](CCOC)CC1(C(=O)N[C@@H](Cc2nc(-c3ccccc3)no2)C(=O)O)CCCC1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.68
NPPA P01160 7/20 0.68
HPGD P15428 2/20 0.41
KMT2A Q03164 1/20 0.41
ITGB1 P05556 3/20 0.41
ITGA4 P13612 3/20 0.41
ITGB7 P26010 2/20 0.41

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
SCHEMBL6812175 0.93 MME (0.73) MMENPPAHPGDITGB1ITGA4
SCHEMBL6807209 0.92 MME (0.57) MMENPPAHPGDKMT2AITGB1
SCHEMBL6807211 0.92 MME (0.57) MMENPPAHPGDKMT2AITGB1
SCHEMBL6808554 0.85 MME (0.61) MMENPPA
SCHEMBL6806867 0.79 MME (0.64) MMENPPAITGB1ITGA4ITGB7
SCHEMBL6806869 0.79 MME (0.64) MMENPPAITGB1ITGA4ITGB7
SCHEMBL6806381 0.79 MME (0.67) MMENPPAITGB1ITGA4ITGB7
SCHEMBL8331455 0.79 MME (0.73) MMENPPAITGB1ITGA4ITGB7
SCHEMBL6807360 0.78 MME (0.73) MMENPPAITGB1ITGA4
SCHEMBL6807169 0.78 MME (0.52) MMENPPAITGB1ITGA4ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138274-A1 Cardiovascular disorders; hypotensive agents; endopeptidase inhibitor; sexual disorders DACK KEVIN NEIL (GB) 2004-07-15 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-20040138274-A1 Cardiovascular disorders; hypotensive agents; endopeptidase inhibitor; sexual disorders MME, ECE1, ECE2 MME 1/4885NPPA 53/4885HPGD 2054/4885

“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.