SCHEMBL4826388

SCHEMBL4826388

CC(C)(C)c1ccc(C=NOCCOc2ccc(C(=O)O)c(O)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.46
LMNA P02545 3/20 0.44
SPHK2 Q9NRA0 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAOB P27338 4/20 0.41
APP P05067 1/20 0.41
RECQL P46063 1/20 0.41
MAOA P21397 1/20 0.40
PPARD Q03181 1/20 0.40
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 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
SCHEMBL4826380 1.00 XDH (0.46) XDHLMNASPHK2SPHK1ALDH1A1
SCHEMBL4825553 0.89 SPHK2 (0.42) LMNASPHK2SPHK1ALDH1A1KDM4E
SCHEMBL4825550 0.89 SPHK2 (0.42) LMNASPHK2SPHK1ALDH1A1KDM4E
SCHEMBL5693735 0.85 XDH (0.44) XDHSPHK2SPHK1KDM4EMEN1
SCHEMBL5693732 0.85 XDH (0.44) XDHSPHK2SPHK1KDM4EMEN1
SCHEMBL8069493 0.85 XDH (0.56) XDHKDM4EMEN1POLBMAPT
SCHEMBL4829019 0.84 ALDH1A1 (0.43) LMNASPHK2SPHK1ALDH1A1KDM4E
SCHEMBL4829025 0.84 ALDH1A1 (0.43) LMNASPHK2SPHK1ALDH1A1KDM4E
SCHEMBL4830955 0.83 PSEN1 (0.43) LMNASPHK2SPHK1KDM4EMEN1
SCHEMBL4830948 0.83 PSEN1 (0.43) LMNASPHK2SPHK1KDM4EMEN1

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 178/4885LMNA 2902/4885SPHK2 2587/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 XDH 112/4885LMNA 2783/4885SPHK2 2996/4885

“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.