SCHEMBL4030133

SCHEMBL4030133

CN(CC(=O)OC(C)(C)C)C(=O)C(=O)c1cn(Cc2ccccc2)c2ccc(-c3cccc(OC(F)(F)F)c3)cc12

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 10/20 0.70
ICMT O60725 7/20 0.44
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC16A3 O15427 1/20 0.39
SLC16A1 P53985 1/20 0.39
MCTS1 Q9ULC4 1/20 0.39

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
SCHEMBL3857041 0.91 SERPINE1 (0.76) SERPINE1ICMTMAPK1L3MBTL1
SCHEMBL4936670 0.83 SERPINE1 (1.00) SERPINE1ICMTMAPK1
SCHEMBL4025258 0.79 SERPINE1 (0.71) SERPINE1ICMTMAPK1L3MBTL1
Tiplasinin SCHEMBL29448190 0.76 SERPINE1 (1.00) SERPINE1ICMTMAPK1L3MBTL1
Tiplasinin SCHEMBL3052065 0.76 SERPINE1 (1.00) SERPINE1ICMTMAPK1L3MBTL1
SCHEMBL3865483 0.73 SERPINE1 (0.79) SERPINE1ICMTMAPK1L3MBTL1
SCHEMBL24855093 0.73 SERPINE1 (0.72) SERPINE1MAPK1L3MBTL1
SCHEMBL30844603 0.73 SERPINE1 (0.72) SERPINE1MAPK1L3MBTL1
SCHEMBL3858555 0.71 SERPINE1 (0.78) SERPINE1ICMT
SCHEMBL3868588 0.71 SERPINE1 (0.69) SERPINE1ICMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569902-B1 SUBSTITUTED INDOLE OXO-ACETYL AMINO ACETIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH CORP (US) 2009-05-06 EP disclosed
US-7160918-B2 Substituted indole oxo-acetyl amino acetic acid derivatives as inhibitors of plasminogen activator inhibitor (PAI-1) ELOKDAH HASSAN MAHMOUD 2007-01-09 US disclosed
US-20060122254-A1 Substituted indole oxo-acetyl amino acetic acid derivatives as inhibitors of plasminogen activator inhibitor (PAI-1) WYETH (US) 2006-06-08 US disclosed
US-7056943-B2 Substituted indole oxo-acetyl amino acetic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-06-06 US disclosed
US-20040116504-A1 Substituted indole oxo-acetyl amino acetic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH 2004-06-17 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-20060122254-A1 Substituted indole oxo-acetyl amino acetic acid derivatives as inhibitors of plasminogen activator inhibitor (PAI-1) SERPINE1, F2RL1, F2R SERPINE1 1/4885ICMT 2605/4885MAPK1 1736/4885

“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.