SCHEMBL3203992

SCHEMBL3203992

CCOC(=O)C(=O)c1cn(-c2ccc(OC(F)(F)F)cc2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.52
SERPINE1 P05121 4/20 0.52
PLA2G4A P47712 2/20 0.43
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
ALOX5 P09917 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
ELANE P08246 2/20 0.39
GSK3B P49841 1/20 0.39
KCNH2 Q12809 1/20 0.39
POLB P06746 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL3206441 0.85 SERPINE1 (0.66) SCN9ASERPINE1PLA2G4ARXRARXRB
SCHEMBL3865483 0.82 SERPINE1 (0.79) SERPINE1
SCHEMBL4939570 0.81 SERPINE1 (0.61) SCN9ASERPINE1HRH2HRH1ELANE
SCHEMBL4937637 0.80 SERPINE1 (0.80) SCN9ASERPINE1RXRARXRB
SCHEMBL3857317 0.76 SERPINE1 (0.79) SCN9ASERPINE1ELANE
SCHEMBL4936611 0.74 SERPINE1 (0.69) SERPINE1
SCHEMBL4942794 0.71 SERPINE1 (0.61) SERPINE1
SCHEMBL4757406 0.71 SERPINE1 (0.69) SCN9ASERPINE1RXRARXRBGSK3B
SCHEMBL8451039 0.70 NR4A2 (0.60) SCN9APOLB
SCHEMBL4943888 0.70 SERPINE1 (0.45) SCN9ASERPINE1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674818-B2 Aryl, aryloxy, alkyloxy substituted 1H-indol-3-yl glyoxylic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH LLC (US) 2010-03-09 US disclosed
EP-1569901-B1 ARYL, ARYLOXY, AND ALKYLOXY SUBSTITUTED i 1H /i -INDOL-3-YL GLYOXYLIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH CORP (US) 2008-10-15 EP disclosed
US-20070259922-A1 Aryl, aryloxy, alkyloxy substituted 1H-indol-3-yl glyoxylic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2007-11-08 US disclosed
US-7259182-B2 Deep vein thrombosis, noninsulin dependent diabetes, atherosclerosis, and pulmonary fibrosis treatment; cardiovascular and brain disorders WYETH (US) 2007-08-21 US disclosed
EP-1569901-A2 ARYL, ARYLOXY, AND ALKYLOXY SUBSTITUTED i 1H /i -INDOL-3-YL GLYOXYLIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) Wyeth (US) 2005-09-07 EP disclosed
US-20040138283-A1 Aryl, aryloxy, and alkyloxy substituted 1H-indol-3-yl glyoxylic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2004-07-15 US disclosed
WO-2004052854-A2 ARYL, ARYLOXY, AND ALKYLOXY SUBSTITUTED 1H-INDOL-3-YL GLYOXYLIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2004-06-24 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 (2 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-20040138283-A1 Aryl, aryloxy, and alkyloxy substituted 1H-indol-3-yl glyoxylic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, PLAT, SERPINC1 SCN9A 3795/4885SERPINE1 1/4885PLA2G4A 741/4885
US-20070259922-A1 Aryl, aryloxy, alkyloxy substituted 1H-indol-3-yl glyoxylic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, SERPINC1, PLAT SCN9A 3763/4885SERPINE1 1/4885PLA2G4A 754/4885

“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.