SCHEMBL4936611

SCHEMBL4936611

CCOC(=O)C(=O)c1cn(Cc2ccc(C(C)(C)C)cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 10/20 0.69
ICMT O60725 4/20 0.43
CACNA1H O95180 1/20 0.41
EPHX2 P34913 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
IDO1 P14902 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
P2RX3 P56373 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
SCHEMBL4937637 0.93 SERPINE1 (0.80) SERPINE1ICMTCACNA1HEPHX2NR1H4
SCHEMBL4943358 0.91 SERPINE1 (0.56) SERPINE1ICMTP2RX3
SCHEMBL3857317 0.90 SERPINE1 (0.79) SERPINE1ICMTP2RX3
SCHEMBL4050213 0.89 SERPINE1 (0.86) SERPINE1ICMTCACNA1HEPHX2NR1H4
SCHEMBL4939570 0.87 SERPINE1 (0.61) SERPINE1
SCHEMBL3865483 0.83 SERPINE1 (0.79) SERPINE1ICMT
SCHEMBL4940883 0.83 SERPINE1 (0.61) SERPINE1ICMTP2RX3
SCHEMBL4752947 0.82 SERPINE1 (1.00) SERPINE1ICMTCACNA1HEPHX2NR1H4
SCHEMBL4943603 0.80 SERPINE1 (0.43) SERPINE1
SCHEMBL5571633 0.80 SERPINE1 (0.66) SERPINE1ICMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (3 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-20080214647-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) SERPINE1, TFPI, F12 SERPINE1 1/4885ICMT 2384/4885CACNA1H 3324/4885
US-20060167059-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, TFPI, F12 SERPINE1 1/4885ICMT 2376/4885CACNA1H 3322/4885
US-20030125371-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) TFPI, SERPINE1, PLAT SERPINE1 2/4885ICMT 2468/4885CACNA1H 2771/4885

“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.