SCHEMBL4500182

SCHEMBL4500182

Nc1ccc(CC(C(=O)O)C(S)CCc2cccc(C(=O)NCCF)c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 4/20 0.47
SLC7A5 Q01650 2/20 0.42
EPHX2 P34913 1/20 0.41
NAMPT P43490 2/20 0.39
KDM4E B2RXH2 2/20 0.37
KDM5A P29375 1/20 0.37
KDM5C P41229 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
ACE P12821 2/20 0.36
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
MPO P05164 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35

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
SCHEMBL4515230 0.87 CPB2 (0.57) CPB2ACECPB1
SCHEMBL4508779 0.85 RAB9A (0.48) CPB2SLC7A5NAMPTNPC1RAB9A
SCHEMBL4493363 0.85 CPB2 (0.55) CPB2ACECPB1
SCHEMBL4496593 0.85 CPB2 (0.48) CPB2SLC7A5EPHX2ACECPB1
SCHEMBL6474709 0.83 CPB2 (0.52) CPB2KDM4EACENPC1RAB9A
SCHEMBL4506255 0.81 CPB2 (0.54) CPB2ACECPB1
SCHEMBL4521167 0.81 CPB2 (0.57) CPB2ACECPB1
SCHEMBL4009042 0.80 CPB2 (0.64) CPB2ACECPB1
SCHEMBL4498697 0.80 CPB2 (0.52) CPB2SLC7A5ACENPC1RAB9A
SCHEMBL4505145 0.80 CPB2 (0.49) CPB2ACEHDAC8HDAC6HDAC3

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 2 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 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 26/4885SLC7A5 289/4885EPHX2 599/4885

“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.