SCHEMBL4504783

SCHEMBL4504783

N#Cc1cccc(CCC(S)C(Cc2ccc(N)nc2)C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 5/20 0.53
VNN1 O95497 4/20 0.46
FOLH1 Q04609 1/20 0.44
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
NOS1 P29475 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
ACE P12821 2/20 0.38
CPB1 P15086 1/20 0.38
BRS3 P32247 1/20 0.37
ITK Q08881 1/20 0.37
MAOB P27338 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36

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
SCHEMBL4515230 0.85 CPB2 (0.57) CPB2FOLH1ACECPB1GABRP
SCHEMBL4521167 0.85 CPB2 (0.57) CPB2ACECPB1GABRPGABRD
SCHEMBL4009042 0.85 CPB2 (0.64) CPB2ACECPB1GABRPGABRD
SCHEMBL4512112 0.85 CPB2 (0.56) CPB2NOS1ACECPB1GABRP
SCHEMBL4508225 0.85 CPB2 (0.56) CPB2FFAR1ACECPB1GABRP
SCHEMBL4493363 0.84 CPB2 (0.55) CPB2FOLH1ACECPB1GABRP
SCHEMBL4513463 0.82 CPB2 (0.58) CPB2ACECPB1GABRPGABRD
SCHEMBL4512159 0.82 CPB2 (0.60) CPB2ACECPB1GABRPGABRD
SCHEMBL4506255 0.80 CPB2 (0.54) CPB2FOLH1ACECPB1GABRP
SCHEMBL4510363 0.80 CPB2 (0.58) CPB2ACECPB1GABRPGABRD

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 26/4885VNN1 1081/4885FOLH1 30/4885

“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.