SCHEMBL5066588

SCHEMBL5066588

CC(=O)c1ccc(C[C@@H](C)N)c(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 16/20 0.44
AKR1C2 P52895 16/20 0.44
AKR1B10 O60218 2/20 0.40
AKR1B1 P15121 2/20 0.40
AKR1C4 P17516 2/20 0.40
AKR1C1 Q04828 2/20 0.40
PKM P14618 1/20 0.39

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
SCHEMBL7312913 0.81 BLM (0.49)
SCHEMBL313991 0.81 BLM (0.49)
SCHEMBL13714204 0.80 AKR1C3 (0.51) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL4959239 0.78 PKM (0.58) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL27648749 0.77 AKR1C3 (0.44) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL10706064 0.77 HTR2A (0.56)
SCHEMBL1355576 0.77 ACE2 (0.45) AKR1C2AKR1C1
SCHEMBL12377744 0.77 AKR1C3 (0.49) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL11141533 0.75 FOLH1 (0.50)
SCHEMBL264745 0.75 FOLH1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227153-A1 Site specific incorporation of keto amino acids into proteins THE SCRIPPS RESEARCH INSTITUTE (US) 2008-09-18 US disclosed
US-20080176284-A1 Site specific incorporation of keto amino acids into proteins THE SCRIPPS RESEARCH INSTITUTE (US) 2008-07-24 US disclosed
US-20050266526-A1 Glycoprotein synthesis THE SCRIPPS RESEARCH INSTITUTE (US) 2005-12-01 US disclosed
US-20050209133-A1 Glycoprotein synthesis THE SCRIPPS RESEARCH INSTITUTE (US) 2005-09-22 US disclosed
US-20050186657-A1 in vitro and in vivo; involves incorporating an unnatural amino acid into a protein and attaching one or more saccharide moieties to the unnatural amino acid; mimetics THE SCRIPPS RESEARCH INSTITUTE (US) 2005-08-25 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 (3 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-20050266526-A1 Glycoprotein synthesis UGGT1, ST6GAL1, ANPEP AKR1C3 4133/4885AKR1C2 3642/4885AKR1B10 3363/4885
US-20050186657-A1 in vitro and in vivo; involves incorporating an unnatural amino acid into a protein and attaching one or more saccharide moieties to the unnatural amino acid; mimetics DNPEP, ANPEP, NPEPPS AKR1C3 4651/4885AKR1C2 4303/4885AKR1B10 3938/4885
US-20050209133-A1 Glycoprotein synthesis UGGT1, ST6GAL1, ANPEP AKR1C3 4133/4885AKR1C2 3642/4885AKR1B10 3363/4885

“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.