SCHEMBL6580067

SCHEMBL6580067

O=C(O)COc1ccc2cc(-c3oc4ccccc4c3CCC3CCCC3)ccc2c1Br

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.53
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 3/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 4/20 0.38
RXFP1 Q9HBX9 4/20 0.38
PRNP P04156 2/20 0.38
ANO1 Q5XXA6 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.38
PTGDR Q13258 1/20 0.38
PLA2G2A P14555 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 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
SCHEMBL6583282 0.90 PTPN1 (0.46) PTPN1RAB9AKDM4EGAAALDH1A1
SCHEMBL6582969 0.85 PTPN1 (0.39) PTPN1RXFP1ANO1KMT2ATSHR
SCHEMBL6581543 0.85 PTPN1 (0.47) PTPN1RAB9AKDM4EGAAALDH1A1
SCHEMBL6582980 0.83 PTPN1 (0.66) PTPN1KDM4EGAAALDH1A1RXFP1
SCHEMBL6581972 0.83 PTPN1 (0.46) PTPN1RAB9AKDM4EANO1KMT2A
SCHEMBL6580469 0.81 PTPN1 (0.37) PTPN1ANO1KMT2ATSHR
SCHEMBL6581762 0.77 PTPN1 (0.51) PTPN1KDM4EGAAALDH1A1RXFP1
SCHEMBL6582700 0.76 PTPN1 (0.42) PTPN1RAB9AKDM4EALDH1A1ANO1
SCHEMBL6583913 0.75 PTPN1 (0.55) PTPN1KDM4EGAAALDH1A1RXFP1
SCHEMBL6583691 0.75 KDM4E (0.41) PTPN1RAB9AKDM4EGAAALDH1A1

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-1401822-A1 NAPHTHYL BENZOFURAN DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) Wyeth (US) 2004-03-31 EP claimed
US-6599925-B2 Cardiovascular disorders; anticancer agents WYETH 2003-07-29 US claimed
US-20030018067-A1 Substituted naphthyl benzofuran derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH 2003-01-23 US claimed
WO-2003000671-A1 NAPHTHYL BENZOFURAN DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2003-01-03 WO claimed
EP-1401822-A1 NAPHTHYL BENZOFURAN DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) Wyeth (US) 2004-03-31 EP disclosed
US-6599925-B2 Cardiovascular disorders; anticancer agents WYETH 2003-07-29 US disclosed
US-20030018067-A1 Substituted naphthyl benzofuran derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH 2003-01-23 US disclosed
WO-2003000671-A1 NAPHTHYL BENZOFURAN DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-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-20030018067-A1 Substituted naphthyl benzofuran derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) F2R, SERPINE1, SERPINC1 PTPN1 1287/4885RAB9A 3331/4885KDM4E 4021/4885

“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.