SCHEMBL4670772

SCHEMBL4670772

CCCCc1c(C(=O)CNCc2ccc3c(Br)c(OCC(Cc4ccccc4)C(=O)OC)ccc3c2)oc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.53
NCEH1 Q6PIU2 1/20 0.34
MCL1 Q07820 2/20 0.34
BCL2 P10415 1/20 0.34
BCL2L1 Q07817 1/20 0.34
BAD Q92934 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
PLK1 P53350 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
NMT2 O60551 1/20 0.33
NMT1 P30419 1/20 0.33
SLC10A1 Q14973 1/20 0.32

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
SCHEMBL4670774 0.86 PTPN1 (0.52) PTPN1NCEH1MCL1BCL2BCL2L1
SCHEMBL4670612 0.80 PTPN1 (0.55) PTPN1NCEH1MCL1BCL2BCL2L1
SCHEMBL4670237 0.77 PTPN1 (0.42) PTPN1NCEH1
SCHEMBL4670491 0.75 PTPN1 (0.75) PTPN1SIRT3
SCHEMBL6581624 0.74 PTPN1 (0.41) PTPN1NCEH1ABCG2
SCHEMBL4670266 0.71 PTPN1 (0.69) PTPN1SIRT3
SCHEMBL4670162 0.70 PTPN1 (0.45) PTPN1NCEH1
SCHEMBL4670290 0.70 PTPN1 (0.53) PTPN1
SCHEMBL5420762 0.70 PTPN1 (1.00) PTPN1NCEH1
SCHEMBL4670488 0.69 PTPN1 (0.73) PTPN1SIRT3

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 PTPN1 885/4885NCEH1 86/4885MCL1 787/4885

“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.