SCHEMBL4564838

SCHEMBL4564838

CN(Cc1ccccc1)C(=O)c1cccc(CCC(S)C(Cc2ccc(N)nc2)C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 3/20 0.50
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
SIRT2 Q8IXJ6 1/20 0.39
ADORA2A P29274 1/20 0.39
ACE P12821 1/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.36

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 0.92 CPB2 (0.49) CPB2KMT2AMEN1ADORA2AACE
SCHEMBL4505145 0.91 CPB2 (0.49) CPB2KMT2AACEHDAC1HDAC6
SCHEMBL4506255 0.91 CPB2 (0.54) CPB2ACE
SCHEMBL4559329 0.90 CPB2 (0.49) CPB2KMT2AMEN1ACE
SCHEMBL4515230 0.87 CPB2 (0.57) CPB2ACE
SCHEMBL4493363 0.85 CPB2 (0.55) CPB2ACESMN1; SMN2
SCHEMBL4509626 0.83 CPB2 (0.42) CPB2KMT2A
SCHEMBL4009042 0.82 CPB2 (0.64) CPB2ACE
SCHEMBL4508225 0.82 CPB2 (0.56) CPB2ACE
SCHEMBL4498697 0.82 CPB2 (0.52) CPB2ACEALDH1A1SMN1; SMN2

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 4 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

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 26/4885KMT2A 2556/4885MEN1 2503/4885

“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.