SCHEMBL4498697

SCHEMBL4498697

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 7/20 0.52
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
CA2 P00918 1/20 0.39
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC7A5 Q01650 2/20 0.38
CPA1 P15085 1/20 0.38
ACE P12821 1/20 0.37
F2 P00734 3/20 0.37
F10 P00742 3/20 0.37
MEP1B Q16820 1/20 0.37
PRSS1 P07477 2/20 0.36
FOLH1 Q04609 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
SCHEMBL4515230 0.88 CPB2 (0.57) CPB2ACEFOLH1
SCHEMBL4493363 0.86 CPB2 (0.55) CPB2SMN1; SMN2CPA1ACEFOLH1
SCHEMBL4511743 0.86 CPB2 (0.45) CPB2NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4507805 0.85 CPB2 (0.44) CPB2CYP4F2CYP4A11CA2NPC1
SCHEMBL4506255 0.85 CPB2 (0.54) CPB2CPA1ACEFOLH1
SCHEMBL4506948 0.83 GAA (0.46) CPB2NPC1ALDH1A1
SCHEMBL4509626 0.83 CPB2 (0.42) CPB2F2F10
SCHEMBL4521167 0.82 CPB2 (0.57) CPB2CPA1ACE
SCHEMBL4564838 0.82 CPB2 (0.50) CPB2ALDH1A1SMN1; SMN2ACE
SCHEMBL4009042 0.82 CPB2 (0.64) CPB2CPA1ACE

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 26/4885CYP4F2 808/4885CYP4A11 751/4885

“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.