SCHEMBL4497407

SCHEMBL4497407

Nc1ccc(CC(C(=O)O)C(S)CCc2cccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.42
CPB2 Q96IY4 1/20 0.42
HTT P42858 1/20 0.42
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41
AKR1C3 P42330 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TP53 P04637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL4508198 0.88 CPB2 (0.48) LMNAALDH1A1MAPTCPB2HTT
SCHEMBL5254959 0.83 ATR (0.44) CPB2MEN1KMT2A
SCHEMBL4520181 0.82 CPB2 (0.45) CPB2LOXL2
SCHEMBL4515230 0.81 CPB2 (0.57) CPB2
SCHEMBL4501538 0.81 CPB2 (0.43) ALDH1A1CPB2HTTKMT2ALOXL2
SCHEMBL4500125 0.80 CPB2 (0.43) CPB2
SCHEMBL4512112 0.80 CPB2 (0.56) CPB2
SCHEMBL4506948 0.79 GAA (0.46) ALDH1A1CPB2PARP10MEN1KMT2A
SCHEMBL4493363 0.79 CPB2 (0.55) CPB2
SCHEMBL4518764 0.77 HCRTR2 (0.44) LMNAALDH1A1MAPTCPB2HTT

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 LMNA 4279/4885ALDH1A1 368/4885MAPT 1786/4885

“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.