SCHEMBL4502124

SCHEMBL4502124

CN(CCc1ccccc1)S(=O)(=O)c1cccc(CCC(S)C(Cc2ccc(N)nc2)C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 4/20 0.48
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
ACE P12821 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
PDE4D Q08499 2/20 0.35
PIK3CD O00329 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 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
SCHEMBL4509144 0.88 CPB2 (0.46) CPB2ACEALDH1A1PIK3CDNAMPT
SCHEMBL4506776 0.83 CPB2 (0.52) CPB2ACENAMPT
SCHEMBL4499046 0.83 CPB2 (0.49) CPB2ACE
SCHEMBL4009042 0.82 CPB2 (0.64) CPB2ACE
SCHEMBL4508225 0.82 CPB2 (0.56) CPB2ACE
SCHEMBL6488008 0.81 CPB2 (0.50) CPB2ACEALDH1A1CYSLTR1NAMPT
SCHEMBL4506255 0.79 CPB2 (0.54) CPB2ACE
SCHEMBL4512159 0.79 CPB2 (0.60) CPB2ACE
SCHEMBL4515230 0.79 CPB2 (0.57) CPB2ACE
SCHEMBL4521167 0.79 CPB2 (0.57) CPB2ACE

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 26/4885HDAC3 1623/4885HDAC4 3152/4885

“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.