SCHEMBL3857545

SCHEMBL3857545

Cc1ccc(Cn2cc(C(=O)C(=O)O)c3cc(-c4ccccc4)ccc32)cc1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 9/20 0.72
ICMT O60725 4/20 0.53
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.51
ADORA1 P30542 1/20 0.48
NR4A2 P43354 2/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL4942305 0.92 SERPINE1 (0.81) SERPINE1ICMTLMNAADORA1
SCHEMBL4937574 0.88 SERPINE1 (0.83) SERPINE1ICMTALDH1A1TP53MAPT
SCHEMBL4750090 0.85 SERPINE1 (0.83) SERPINE1ICMTALDH1A1LMNA
SCHEMBL3861263 0.85 SERPINE1 (0.67) SERPINE1ICMTALDH1A1LMNATP53
SCHEMBL3948740 0.84 SERPINE1 (0.82) SERPINE1ICMTADORA1
Aleplasinin SCHEMBL3861891 0.84 SERPINE1 (1.00) SERPINE1ICMT
Aleplasinin SCHEMBL29377702 0.84 SERPINE1 (1.00) SERPINE1ICMT
SCHEMBL3858380 0.84 SERPINE1 (0.86) SERPINE1ICMTADORA1
SCHEMBL4939557 0.82 SERPINE1 (0.60) SERPINE1ICMTADORA1
SCHEMBL3856116 0.82 SERPINE1 (0.76) SERPINE1ICMTADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010171-A2 INHIBITORS OF PAI-1 FOR TREATMENT OF MUSCULAR CONDITIONS Wyeth a Corporation of the State of Delaware (US) 2009-01-07 EP disclosed
US-20080214647-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2008-09-04 US disclosed
US-7368471-B2 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2008-05-06 US disclosed
EP-1844771-A2 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) Wyeth (US) 2007-10-17 EP disclosed
WO-2007098278-A2 INHIBITORS OF PAI-1 FOR TREATMENT OF MUSCULAR CONDITIONS WYETH (US) 2007-08-30 WO disclosed
US-20070203220-A1 Inhibitors Of PAI-1 For Treatment Of Muscular Conditions WYETH (US) 2007-08-30 US disclosed
EP-1397130-B1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH CORP (US) 2007-07-25 EP disclosed
US-20060167059-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-07-27 US disclosed
US-7074817-B2 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-07-11 US disclosed
EP-1397130-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) Wyeth (US) 2004-03-17 EP disclosed
US-20030125371-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH 2003-07-03 US disclosed
WO-2003000253-A1 SUBSTITUTED INDOLE ACID 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 (4 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-20070203220-A1 Inhibitors Of PAI-1 For Treatment Of Muscular Conditions SERPINE1, SERPINB1, SERPINC1 SERPINE1 1/4885ICMT 4550/4885ALDH1A1 2351/4885
US-20080214647-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) SERPINE1, TFPI, F12 SERPINE1 1/4885ICMT 2384/4885ALDH1A1 1252/4885
US-20060167059-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, TFPI, F12 SERPINE1 1/4885ICMT 2376/4885ALDH1A1 1250/4885
US-20030125371-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) TFPI, SERPINE1, PLAT SERPINE1 2/4885ICMT 2468/4885ALDH1A1 1271/4885

“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.