SCHEMBL5213702

SCHEMBL5213702

CSCCC(N=Cc1nccs1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 2/20 0.42
MIF P14174 1/20 0.34
RNPEP Q9H4A4 1/20 0.34
HPGD P15428 1/20 0.32
JAK2 O60674 1/20 0.32
EGFR P00533 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FPR1 P21462 2/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5213697 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EMIFRNPEPHPGD
SCHEMBL14443169 0.83 ALDH1A1 (0.47) ALDH1A1KDM4EMIFHPGDSMN1; SMN2
SCHEMBL4164865 0.81 ALDH1A1 (0.40) ALDH1A1HPGDJAK2EGFRL3MBTL1
SCHEMBL4164862 0.81 ALDH1A1 (0.40) ALDH1A1HPGDJAK2EGFRL3MBTL1
SCHEMBL5246164 0.81 ALDH1A1 (0.43) ALDH1A1JAK2EGFRL3MBTL1GAA
SCHEMBL5246160 0.81 ALDH1A1 (0.43) ALDH1A1JAK2EGFRL3MBTL1GAA
SCHEMBL5219201 0.79 CTSA (0.39)
SCHEMBL5219207 0.79 CTSA (0.39)
SCHEMBL4174586 0.77 FDPS (0.44) ALDH1A1JAK2EGFRSMN1; SMN2
SCHEMBL4174581 0.77 FDPS (0.44) ALDH1A1JAK2EGFRSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259163-B2 4-(6-membered)-heteroaryl acyl pyrrolidine derivatives as HCV inhibitors GLAXO GROUP LIMITED (GB) 2007-08-21 US disclosed
EP-1440069-B1 4-(6-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS GLAXO GROUP LTD (GB) 2007-08-15 EP disclosed
US-20050043390-A1 4-(6-membered)-heteroaryl acyl pyrrolidine derivatives as hcv inhibitors GLAXO GROUP LIMITED (GB) 2005-02-24 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-20050043390-A1 4-(6-membered)-heteroaryl acyl pyrrolidine derivatives as hcv inhibitors NR1H3, NR1H2, NR1I3 ALDH1A1 215/4885KDM4E 2817/4885MIF 4330/4885

“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.