SCHEMBL4670243

SCHEMBL4670243

CCCCc1oc2ccccc2c1C(=O)Nc1ccc2cc(OCC(=O)OC)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 8/20 0.58
PTPN1 P18031 3/20 0.47
NR1H4 Q96RI1 1/20 0.47
KDM5A P29375 1/20 0.47
KDM7A Q6ZMT4 1/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
EYA3 Q99504 2/20 0.46
TTR P02766 1/20 0.45
TP53 P04637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL4670483 0.92 SIRT3 (0.61) SIRT3PTPN1NR1H4KDM5AKDM7A
SCHEMBL4672788 0.91 SIRT3 (0.61) SIRT3PTPN1NR1H4KDM5AKDM7A
SCHEMBL4672800 0.91 SIRT3 (0.61) SIRT3PTPN1NR1H4KDM5AKDM7A
SCHEMBL4672792 0.90 SIRT3 (0.57) SIRT3PTPN1NR1H4KDM5AKDM7A
SCHEMBL4670289 0.86 SIRT3 (0.54) SIRT3PTPN1NR1H4KDM5AKDM7A
SCHEMBL4670391 0.86 PTPN1 (0.57) SIRT3PTPN1KDM7ATHRATHRB
SCHEMBL3972664 0.80 PTPN1 (0.70) SIRT3PTPN1NR1H4KDM5AKDM7A
SCHEMBL4670321 0.78 PTPN1 (0.67) SIRT3PTPN1THRATHRBEYA3
SCHEMBL4670720 0.78 PTPN1 (0.58) SIRT3PTPN1NR1H4KDM5AKDM7A
SCHEMBL31314642 0.78 SIRT3 (0.64) SIRT3PTPN1NR1H4KDM5AKDM7A

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-1397341-B1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH CORP (US) 2008-08-06 EP disclosed
EP-1397341-A1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) Wyeth (US) 2004-03-17 EP disclosed
US-6589970-B2 This invention provides novel compounds, pharmaceutical compositions and methods of treating thrombotic disorders in mammals, the compounds having the formula: WYETH 2003-07-08 US disclosed
US-20030045560-A1 6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) WYETH 2003-03-06 US disclosed
WO-2003000649-A1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH (US) 2003-01-03 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-20030045560-A1 6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) SERPINC1, F11, SERPINE1 SIRT3 1354/4885PTPN1 885/4885NR1H4 1081/4885

“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.