SCHEMBL6582262

SCHEMBL6582262

CCCCC(=O)c1c(-c2ccc3c(Br)c(OCC(=O)O)ccc3c2)oc2ccc(Cl)cc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.48
SLC2A1 P11166 1/20 0.41
ANO1 Q5XXA6 3/20 0.40
KDM4E B2RXH2 1/20 0.38
ALOX5 P09917 2/20 0.38
ALDH1A1 P00352 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL6586154 0.91 ALOX5 (0.42) PTPN1SLC2A1ANO1ALOX5ALDH1A1
SCHEMBL6581487 0.89 PTPN1 (0.58) PTPN1ANO1KDM4EALDH1A1RXFP1
SCHEMBL6585552 0.89 SLC2A1 (0.42) PTPN1SLC2A1ANO1ALOX5TSHR
SCHEMBL6579592 0.86 KDM4E (0.50) SLC2A1ANO1KDM4EALDH1A1
SCHEMBL6579758 0.85 ALOX5 (0.42) PTPN1SLC2A1ANO1ALOX5TSHR
SCHEMBL6580545 0.84 SLC2A1 (0.37) PTPN1SLC2A1ANO1ALOX5TP53
SCHEMBL6580117 0.82 PTPN1 (0.46) PTPN1ANO1KDM4EALDH1A1TP53
SCHEMBL6579721 0.80 PTPN1 (0.48) PTPN1KDM4EALOX5ALDH1A1TSHR
SCHEMBL6583890 0.79 PTPN1 (0.47) PTPN1KDM4EALDH1A1TP53MAPT
SCHEMBL6579740 0.79 PTPN1 (0.46) PTPN1ANO1KDM4EALDH1A1TP53

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 1287/4885SLC2A1 2299/4885ANO1 3199/4885

“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.