SCHEMBL4826442

SCHEMBL4826442

C/C(=N\OCCOc1ccc(C(=O)O)c(O)c1)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.46
NR4A2 P43354 2/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
PPARD Q03181 1/20 0.42
NR4A1 P22736 1/20 0.41
NR4A3 Q92570 1/20 0.41
POLB P06746 3/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 1/20 0.41
MAOB P27338 3/20 0.40
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 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
SCHEMBL4826453 1.00 XDH (0.46) XDHNR4A2RXRARXRBPPARD
SCHEMBL4828743 0.89 MAPK1 (0.42) PPARDPOLBLMNAMAPK1PPARG
SCHEMBL4828735 0.89 MAPK1 (0.42) PPARDPOLBLMNAMAPK1PPARG
SCHEMBL4830848 0.88 NR1H4 (0.48) NR4A2RXRARXRBNR4A1NR4A3
SCHEMBL4830858 0.88 NR1H4 (0.48) NR4A2RXRARXRBNR4A1NR4A3
SCHEMBL4833520 0.88 MAOB (0.49) PPARDLMNAMAPK1PPARGPPARA
SCHEMBL4833526 0.88 MAOB (0.49) PPARDLMNAMAPK1PPARGPPARA
SCHEMBL8069493 0.85 XDH (0.56) XDHNR4A2RXRARXRBPPARD
SCHEMBL8067312 0.81 XDH (0.55) XDHNR4A2RXRARXRBPPARD
SCHEMBL4826380 0.80 XDH (0.46) XDHPPARDPOLBLMNAMAOB

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-7420083-B2 Substituted aryloximes WYETH (US) 2008-09-02 US claimed
EP-1663189-A1 4-(PHENYL-ETHYLIDENEAMINOXY-PROPOXY)-PHENYL-ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PAI-1 INHIBITORS FOR THE TREATMENT OF IMPAIREMENT OF THE FIBRINOLYTIC SYSTEM AND OF THROMBISIS Wyeth (US) 2006-06-07 EP claimed
WO-2005030193-A1 4-(PHENYL-ETHYLIDENEAMINOXY-PROPOXY) -PHENYL-ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PAI-1 INHIBITORS FOR THE TREATMENT OF IMPAIRMENT OF THE FIBRINOLYTIC SYSTEM AND OF THROMBOSIS WYETH (US) 2005-04-07 WO claimed
US-20050070584-A1 Substituted aryloximes WYETH (US) 2005-03-31 US claimed
US-20080293790-A1 SUBSTITUTED ARYL OXIMES WYETH (US) 2008-11-27 US disclosed
US-7420083-B2 Substituted aryloximes WYETH (US) 2008-09-02 US disclosed
EP-1663189-A1 4-(PHENYL-ETHYLIDENEAMINOXY-PROPOXY)-PHENYL-ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PAI-1 INHIBITORS FOR THE TREATMENT OF IMPAIREMENT OF THE FIBRINOLYTIC SYSTEM AND OF THROMBISIS Wyeth (US) 2006-06-07 EP disclosed
WO-2005030193-A1 4-(PHENYL-ETHYLIDENEAMINOXY-PROPOXY) -PHENYL-ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PAI-1 INHIBITORS FOR THE TREATMENT OF IMPAIRMENT OF THE FIBRINOLYTIC SYSTEM AND OF THROMBOSIS WYETH (US) 2005-04-07 WO disclosed
US-20050070584-A1 Substituted aryloximes WYETH (US) 2005-03-31 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 (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-20050070584-A1 Substituted aryloximes AHR, NQO1, AOX1 XDH 178/4885NR4A2 844/4885RXRA 1225/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 XDH 112/4885NR4A2 900/4885RXRA 587/4885

“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.