SCHEMBL4506948

SCHEMBL4506948

CCOC(=O)C1CCN(C(=O)c2cccc(CCC(S)C(Cc3ccc(N)nc3)C(=O)O)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
PARP1 P09874 1/20 0.46
KMT2A Q03164 2/20 0.46
PARP10 Q53GL7 1/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.43
CPB2 Q96IY4 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB3 P13945 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL5254959 0.86 ATR (0.44) KMT2AMEN1CPB2
SCHEMBL4508198 0.86 CPB2 (0.48) GAAKMT2AMEN1POLBCPB2
SCHEMBL4520181 0.85 CPB2 (0.45) PARP1CPB2NPC1
SCHEMBL4498697 0.83 CPB2 (0.52) CPB2ALDH1A1NPC1
SCHEMBL4497407 0.79 LMNA (0.44) KMT2APARP10MEN1TSHRCPB2
SCHEMBL4515230 0.79 CPB2 (0.57) CPB2
SCHEMBL4501538 0.79 CPB2 (0.43) PARP1KMT2ACPB2ALDH1A1NPC1
SCHEMBL4518764 0.79 HCRTR2 (0.44) PARP1KMT2AMEN1GLACPB2
SCHEMBL4500125 0.79 CPB2 (0.43) PARP1POLBCPB2
SCHEMBL6528858 0.78 CPB1 (0.51) POLBCPB2NPC1

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 GAA 174/4885PARP1 3254/4885KMT2A 2556/4885

“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.