SCHEMBL4508779

SCHEMBL4508779

Nc1ccc(CC(C(=O)O)C(S)CCc2cccc(C(=O)NCCc3ccc4c(c3)OCO4)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
NPC1 O15118 5/20 0.48
PARP1 P09874 1/20 0.47
LMNA P02545 4/20 0.46
FAAH O00519 3/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
MMP13 P45452 1/20 0.43
MCHR1 Q99705 1/20 0.43
KLF5 Q13887 2/20 0.42
CPB2 Q96IY4 1/20 0.42
NAMPT P43490 1/20 0.42
SLC7A5 Q01650 1/20 0.42
PKM P14618 1/20 0.41
PAX8 Q06710 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL4498512 0.88 CPB2 (0.54) LMNAFAAHCPB2
SCHEMBL4500182 0.85 CPB2 (0.47) RAB9ANPC1CPB2NAMPTSLC7A5
SCHEMBL4515230 0.81 CPB2 (0.57) CPB2
SCHEMBL4493363 0.79 CPB2 (0.55) CPB2
SCHEMBL4496593 0.79 CPB2 (0.48) CPB2SLC7A5
SCHEMBL6474709 0.78 CPB2 (0.52) RAB9ANPC1LMNAKMT2AMEN1
SCHEMBL4505145 0.77 CPB2 (0.49) PARP1KMT2ACPB2
SCHEMBL4506255 0.76 CPB2 (0.54) FAAHCPB2
SCHEMBL4508198 0.76 CPB2 (0.48) RAB9ANPC1LMNAKMT2AMEN1
SCHEMBL4521167 0.76 CPB2 (0.57) CPB2

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 RAB9A 4389/4885NPC1 984/4885PARP1 3254/4885

“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.