SCHEMBL4939166

SCHEMBL4939166

Fc1ccc(Cn2ccc3cc(-c4ccc(OC(F)(F)F)cc4)ccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.50
SERPINE1 P05121 5/20 0.48
GCGR P47871 1/20 0.48
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
ERBB2 P04626 2/20 0.45
EPHX2 P34913 2/20 0.44
HDAC11 Q96DB2 1/20 0.41
MAOB P27338 1/20 0.41
CACNA1H O95180 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
MET P08581 1/20 0.39
SCN5A Q14524 1/20 0.39
GRM2 Q14416 1/20 0.39

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
SCHEMBL4943218 0.89 SERPINE1 (0.46) SCN9ASERPINE1GCGRHDAC8HDAC6
SCHEMBL3858095 0.89 SERPINE1 (0.57) SERPINE1GCGRHDAC8HDAC6HDAC3
SCHEMBL4940424 0.87 SERPINE1 (0.59) SCN9ASERPINE1GCGRHDAC8HDAC6
SCHEMBL27977005 0.86 SCN9A (0.56) SCN9AHDAC8HDAC6HDAC3HDAC1
SCHEMBL4943532 0.82 HTR6 (0.52) SCN9ASERPINE1HDAC8HDAC6HDAC3
SCHEMBL23902736 0.81 HTR6 (0.50) SERPINE1GCGRHDAC8HDAC6HDAC3
SCHEMBL30365136 0.81 HTR6 (0.50) SERPINE1GCGRHDAC8HDAC6HDAC3
SCHEMBL2056298 0.81 GCGR (0.48) SERPINE1GCGRHDAC8HDAC6HDAC3
SCHEMBL4940102 0.80 SERPINE1 (0.59) SERPINE1ERBB2
SCHEMBL3862992 0.79 HTR6 (0.63) SERPINE1SCN5A

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 SCN9A 2457/4885SERPINE1 1/4885GCGR 1385/4885
US-20060167059-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, TFPI, F12 SCN9A 2449/4885SERPINE1 1/4885GCGR 1385/4885
US-20030125371-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) TFPI, SERPINE1, PLAT SCN9A 2754/4885SERPINE1 2/4885GCGR 1671/4885

“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.