SCHEMBL4518764

SCHEMBL4518764

COc1cc2c(cc1OC)CN(C(=O)c1cccc(CCC(S)C(Cc3ccc(N)nc3)C(=O)O)c1)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 5/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 1/20 0.43
PDE4B Q07343 3/20 0.42
HCRTR1 O43613 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PARP1 P09874 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MDM2 Q00987 1/20 0.42
GPR183 P32249 1/20 0.42
CPB2 Q96IY4 1/20 0.42
CA1 P00915 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
SCHEMBL4501538 0.89 CPB2 (0.43) KMT2ANPC1KDM4EHTTPARP1
SCHEMBL4508198 0.83 CPB2 (0.48) LMNAMAPTKMT2AMEN1NPC1
SCHEMBL4500125 0.81 CPB2 (0.43) PARP1CPB2
SCHEMBL4520181 0.80 CPB2 (0.45) NPC1RAB9APARP1CPB2
SCHEMBL5254959 0.79 ATR (0.44) KMT2AMEN1CPB2
SCHEMBL4515230 0.79 CPB2 (0.57) CPB2
SCHEMBL4506948 0.79 GAA (0.46) KMT2AMEN1NPC1GLAPARP1
SCHEMBL4497407 0.77 LMNA (0.44) MAPK1LMNAMAPTKMT2AMEN1
SCHEMBL4493363 0.77 CPB2 (0.55) CPB2
SCHEMBL4498697 0.76 CPB2 (0.52) MAPTNPC1RAB9AALDH1A1CPB2

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 4 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

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 HCRTR2 3547/4885MAPK1 3419/4885LMNA 4279/4885

“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.