SCHEMBL2020672

SCHEMBL2020672

C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)CN(CC(C)(C)C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
NPY5R Q15761 13/20 0.50
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
AOC3 Q16853 1/20 0.43
NPY2R P49146 1/20 0.43

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
SCHEMBL3339657 0.81 GAA (0.68) GAANPY5RKDM4EALDH1A1AOC3
SCHEMBL3339654 0.81 GAA (0.68) GAANPY5RKDM4EALDH1A1AOC3
SCHEMBL26707660 0.76 GAA (0.74) GAANPY5RKDM4EALDH1A1AOC3
SCHEMBL6908215 0.76 GAA (0.74) GAANPY5RKDM4EALDH1A1AOC3
SCHEMBL3447213 0.76 GAA (0.74) GAANPY5RKDM4EALDH1A1AOC3
SCHEMBL3447214 0.76 GAA (0.74) GAANPY5RKDM4EALDH1A1AOC3
SCHEMBL6223855 0.76 GAA (0.74) GAANPY5RKDM4EALDH1A1AOC3
SCHEMBL2020670 0.76 GAA (0.61) GAANPY5RKDM4EALDH1A1AOC3
SCHEMBL8728635 0.75 GAA (0.72) GAANPY5RKDM4EALDH1A1AOC3
SCHEMBL8561317 0.75 GAA (1.00) GAANPY5RKDM4EALDH1A1AOC3

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-20110160300-A1 Renin Inhibitors and Methods of Use Thereof VITAE PHARMACEUTICALS, INC. 2011-06-30 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-20110160300-A1 Renin Inhibitors and Methods of Use Thereof REN, ACE, AGTR1 GAA 157/4885NPY5R 624/4885KDM4E 2805/4885

“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.