SCHEMBL4559329

SCHEMBL4559329

CN(CCO)C(=O)c1cccc(CCC(S)C(Cc2ccc(N)nc2)C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 9/20 0.49
ACACB O00763 1/20 0.38
GYS1 P13807 1/20 0.36
ACE P12821 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CPA1 P15085 2/20 0.34
ATR Q13535 2/20 0.34
CPB1 P15086 3/20 0.34
MTOR P42345 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33

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
SCHEMBL4499046 0.93 CPB2 (0.49) CPB2ACEMEN1KMT2AATR
SCHEMBL4564838 0.90 CPB2 (0.50) CPB2ACEMEN1KMT2A
SCHEMBL4506255 0.90 CPB2 (0.54) CPB2ACECPA1CPB1MTOR
SCHEMBL4515230 0.86 CPB2 (0.57) CPB2ACECPB1
SCHEMBL4505145 0.85 CPB2 (0.49) CPB2ACEKMT2ACPB1
SCHEMBL4493363 0.84 CPB2 (0.55) CPB2ACECPA1CPB1
SCHEMBL4521167 0.82 CPB2 (0.57) CPB2ACECPA1CPB1
SCHEMBL4498697 0.81 CPB2 (0.52) CPB2ACECPA1CYP4F2CYP4A11
SCHEMBL4009042 0.80 CPB2 (0.64) CPB2ACECPA1CPB1
SCHEMBL4509626 0.79 CPB2 (0.42) CPB2KMT2A

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-7572817-B2 2,5-disubstituted 3-mercaptopentanoic acid ASTRAZENECA AB (SE) 2009-08-11 US claimed
US-7572817-B2 2,5-disubstituted 3-mercaptopentanoic acid ASTRAZENECA AB (SE) 2009-08-11 US disclosed
EP-1532111-B1 2,5-DISUBSTITUTED 3-MERCAPTOPENTANOIC ACID ASTRAZENECA AB (SE) 2007-08-08 EP disclosed
US-20050176780-A1 2,5-disubstituted 3-mercaptopentanoic acid ASTRAZENECA AB (SE) 2005-08-11 US disclosed
EP-1532111-A1 2,5-DISUBSTITUTED 3-MERCAPTOPENTANOIC ACID AstraZeneca AB (SE) 2005-05-25 EP disclosed
WO-2003106420-A1 2,5-DISUBSTITUTED 3-MERCAPTOPENTANOIC ACID ASTRAZENECA AB (SE) 2003-12-24 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 (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-20050176780-A1 2,5-disubstituted 3-mercaptopentanoic acid METAP1, MPST, DNPEP CPB2 26/4885ACACB 1387/4885GYS1 2551/4885

“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.