SCHEMBL6582980

SCHEMBL6582980

CCCCCc1c(-c2ccc3c(Br)c(OCC(=O)O)ccc3c2)oc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.66
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
PRNP P04156 3/20 0.42
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
GAA P10253 1/20 0.40
RXFP1 Q9HBX9 2/20 0.40
TSHR P16473 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
SCHEMBL6583913 0.91 PTPN1 (0.55) PTPN1ALDH1A1KDM4EPRNPGAA
SCHEMBL6580283 0.85 PTPN1 (0.57) PTPN1ALDH1A1KDM4ETHRATHRB
SCHEMBL6581487 0.85 PTPN1 (0.58) PTPN1ALDH1A1KDM4EPRNPTHRA
SCHEMBL6579756 0.85 PTPN1 (0.49) PTPN1PRNPRXFP1TSHR
SCHEMBL6580067 0.83 PTPN1 (0.53) PTPN1ALDH1A1KDM4EPRNPGAA
SCHEMBL6579567 0.82 PTPN1 (0.61) PTPN1
SCHEMBL4022869 0.80 PTPN1 (0.52) PTPN1ALDH1A1PRNPRXFP1
SCHEMBL5420762 0.80 PTPN1 (1.00) PTPN1THRATHRB
SCHEMBL6581762 0.79 PTPN1 (0.51) PTPN1ALDH1A1KDM4EPRNPTHRA
SCHEMBL6583282 0.79 PTPN1 (0.46) PTPN1ALDH1A1KDM4EPRNPGAA

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 1287/4885ALDH1A1 1108/4885KDM4E 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.