SCHEMBL4684375

SCHEMBL4684375

O=C(O)C(Cc1ccccc1)N=Cc1nccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MIF P14174 1/20 0.41
PKM P14618 2/20 0.40
HSPA1A P0DMV8 1/20 0.40
HSPA5 P11021 1/20 0.40
HSPA9 P38646 1/20 0.40
HSPA2 P54652 1/20 0.40
PLA2G4A P47712 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
TRPA1 O75762 1/20 0.39
CES1 P23141 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALPI P09923 1/20 0.37
PTGS1 P23219 1/20 0.37
XIAP P98170 1/20 0.37
SLC7A5 Q01650 1/20 0.37
LMNA P02545 2/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL4684373 1.00 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MIFPKMHSPA1A
SCHEMBL4174586 0.83 FDPS (0.44) SMN1; SMN2ALDH1A1PKMTSHRCTSA
SCHEMBL4174581 0.83 FDPS (0.44) SMN1; SMN2ALDH1A1PKMTSHRCTSA
SCHEMBL14350282 0.83 MIF (0.46) ALDH1A1MIFPKM
SCHEMBL4161033 0.81 CTSA (0.30) CTSA
SCHEMBL4161037 0.81 CTSA (0.30) CTSA
SCHEMBL5219207 0.80 CTSA (0.39) CTSA
SCHEMBL5219201 0.80 CTSA (0.39) CTSA
SCHEMBL4164862 0.79 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1HSPA5HSPA2L3MBTL1
SCHEMBL4164865 0.79 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1HSPA5HSPA2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554274-B1 1-ACYL-PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS GLAXO GROUP LTD (GB) 2008-12-24 EP disclosed
US-7304087-B2 1-acyl-pyrrolidine derivatives for the treatment of viral infections GLAXO GROUP LIMITED (GB) 2007-12-04 US disclosed
US-20060258720-A1 1-Acyl-pyrrolidine derivatives for the treatment of viral infections GLAXO GROUP LIMITED (GB) 2006-11-16 US disclosed
EP-1554274-A1 1-ACYL-PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2005-07-20 EP disclosed
US-20050043545-A1 4-(5-Membered)-heteroaryl acyl pyrrolidine derivatives as hcv inhibitors GLAXO GROUP LIMITED (GB) 2005-02-24 US disclosed
EP-1440070-A1 4-(5-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-28 EP disclosed
WO-2004037818-A1 1-ACYL-PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2004-05-06 WO disclosed
WO-2003037894-A1 4-(5-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS GLAXO GROUP LIMITED (GB) 2003-05-08 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 (2 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-20060258720-A1 1-Acyl-pyrrolidine derivatives for the treatment of viral infections HAVCR2, LIPC, ACADVL SMN1; SMN2 3701/4885ALDH1A1 304/4885MIF 3425/4885
US-20050043545-A1 4-(5-Membered)-heteroaryl acyl pyrrolidine derivatives as hcv inhibitors NR1H3, NR1H2, NR1I3 SMN1; SMN2 4686/4885ALDH1A1 234/4885MIF 4501/4885

“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.