SCHEMBL2739487

SCHEMBL2739487

NC[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 6/20 0.63
▸ ACE P12821 4/20 0.57
▸ CPA1 P15085 4/20 0.57
▸ ACE2 Q9BYF1 4/20 0.57
▸ ALPI P09923 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ PTGS1 P23219 1/20 0.54
▸ XIAP P98170 1/20 0.54
▸ SLC7A5 Q01650 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL2740200 1.00 MME (0.63) MMEACECPA1ACE2ALPI
SCHEMBL2739525 1.00 MME (0.63) MMEACECPA1ACE2ALPI
SCHEMBL2739563 1.00 MME (0.63) MMEACECPA1ACE2ALPI
Trifluoroacetic Acid SCHEMBL29484056 0.93 MME (0.56) MMEACECPA1ACE2NPSR1
SCHEMBL30581391 0.90 MME (0.67) MMEACECPA1ACE2ALPI
SCHEMBL1329567 0.90 MME (0.67) MMEACECPA1ACE2ALPI
SCHEMBL825577 0.90 MME (0.67) MMEACECPA1ACE2ALPI
SCHEMBL5065345 0.90 MME (0.67) MMEACECPA1ACE2ALPI
SCHEMBL30581399 0.90 MME (0.67) MMEACECPA1ACE2ALPI
SCHEMBL7355800 0.90 MME (0.67) MMEACECPA1ACE2ALPI

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-9512176-B2 Age inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-12-06 — — US disclosed
US-20120252866-A1 Age Inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-10-04 — — US disclosed
EP-1863832-B1 AGE INHIBITORS CENTRE NAT RECH SCIENT (FR) 2012-01-04 — — EP disclosed
US-20080249030-A1 Age Inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-10-09 — — US disclosed
US-20080249030-A1 Age Inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-10-09 — — US disclosed
WO-2006103274-A9 AGE INHIBITORS PHARMAMENS (FR) 2007-01-18 — — WO 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 (2 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-20120252866-A1 Age Inhibitors CFH, CDKL1, XPNPEP1 MME 656/4885ACE 253/4885CPA1 6/4885
US-20080249030-A1 Age Inhibitors CFH, XPA, XPNPEP1 MME 909/4885ACE 587/4885CPA1 11/4885

“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.

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