SCHEMBL4498512

SCHEMBL4498512

Nc1ccc(CC(C(=O)O)C(S)CCc2ccc3c(c2)OCO3)cn1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 3/20 0.54
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TAAR1 Q96RJ0 3/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC6A4 P31645 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
HDAC1 Q13547 2/20 0.39
KDM4E B2RXH2 1/20 0.38
CPB1 P15086 1/20 0.38
FAAH O00519 1/20 0.38
TRPA1 O75762 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL4508779 0.88 RAB9A (0.48) CPB2LMNAFAAH
SCHEMBL4009042 0.81 CPB2 (0.64) CPB2CPB1
SCHEMBL4507391 0.80 CPB2 (0.63) CPB2CPB1
SCHEMBL4515230 0.80 CPB2 (0.57) CPB2CPB1
SCHEMBL4521167 0.80 CPB2 (0.57) CPB2CPB1
SCHEMBL4510175 0.80 CPB2 (0.62) CPB2CPB1
SCHEMBL4509644 0.79 CPB2 (0.65) CPB2CPB1
SCHEMBL4512112 0.79 CPB2 (0.56) CPB2CPB1
SCHEMBL4508225 0.79 CPB2 (0.56) CPB2CPB1
SCHEMBL4503501 0.79 CPB2 (0.58) CPB2CPB1

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 26/4885LMNA 4279/4885ALDH1A1 368/4885

“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.