SCHEMBL4940102

SCHEMBL4940102

FC(F)(F)Oc1cccc(-c2ccc3c(ccn3Cc3ccccc3)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 5/20 0.59
HTR6 P50406 1/20 0.45
ERBB2 P04626 2/20 0.44
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
APP P05067 1/20 0.42
NPC1 O15118 1/20 0.42
HSP90AA1 P07900 1/20 0.42
JAK3 P52333 1/20 0.42
GLO1 Q04760 1/20 0.42
CHRM5 P08912 2/20 0.42
BRD4 O60885 1/20 0.42
SLC13A5 Q86YT5 1/20 0.41
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD4 P21917 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL3858095 0.90 SERPINE1 (0.57) SERPINE1HTR6ERBB2APPNPC1
SCHEMBL24855125 0.87 NPC1 (0.50) SERPINE1HTR6APPNPC1HSP90AA1
SCHEMBL30844613 0.87 NPC1 (0.50) SERPINE1HTR6APPNPC1HSP90AA1
SCHEMBL5795018 0.82 HTR6 (0.62) HTR6ERBB2APPNPC1HSP90AA1
SCHEMBL4942869 0.82 HTR6 (0.62) HTR6ERBB2APPNPC1HSP90AA1
SCHEMBL6085760 0.81 HTR6 (0.48) SERPINE1HTR6CHRM5DRD4PPARG
SCHEMBL3862992 0.81 HTR6 (0.63) SERPINE1HTR6APPCHRM5BRD4
SCHEMBL3510208 0.80 PLAU (0.51) SERPINE1HTR6CHRM5PPARG
SCHEMBL30365128 0.80 PLAU (0.51) SERPINE1HTR6CHRM5PPARG
SCHEMBL4939166 0.80 SCN9A (0.50) SERPINE1ERBB2

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-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
US-20030125371-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH 2003-07-03 US 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 1/4885HTR6 577/4885ERBB2 729/4885
US-20060167059-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, TFPI, F12 SERPINE1 1/4885HTR6 566/4885ERBB2 732/4885
US-20030125371-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) TFPI, SERPINE1, PLAT SERPINE1 2/4885HTR6 291/4885ERBB2 806/4885

“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.