SCHEMBL4831331

SCHEMBL4831331

COC(=O)c1ccc(N)cc1NC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.57
MAPT P10636 3/20 0.56
GAA P10253 2/20 0.56
MAPK1 P28482 1/20 0.56
PTGS1 P23219 6/20 0.55
KDM4E B2RXH2 6/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 4/20 0.48
HPGD P15428 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL4830861 0.91 CFTR (0.52) CFTRMAPTGAAMAPK1PTGS1
SCHEMBL4801219 0.88 KDM4E (0.61) MAPTGAAMAPK1KDM4ECYP1A2
SCHEMBL4836211 0.88 MAPT (0.54) MAPTGAAMAPK1KDM4ECYP1A2
SCHEMBL4831188 0.86 CYP1A2 (0.54) CFTRMAPTGAAMAPK1KDM4E
SCHEMBL4828986 0.81 HTT (0.56) MAPTKDM4ECYP1A2CYP2C19HTT
SCHEMBL11500979 0.80 MAPT (0.68) MAPTGAAMAPK1KDM4ECYP1A2
SCHEMBL4825758 0.80 PTGS1 (0.58) CFTRMAPTGAAMAPK1PTGS1
SCHEMBL7323880 0.80 PTGS1 (0.59) CFTRPTGS1KDM4ECYP1A2CYP2D6
SCHEMBL7034528 0.78 TRPV1 (0.56) CFTRMAPTMAPK1PTGS1KDM4E
SCHEMBL14413343 0.77 KDM4E (0.69) MAPTGAAKDM4ECYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CFTR 3473/4885MAPT 4769/4885GAA 2649/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 CFTR 3632/4885MAPT 4362/4885GAA 2012/4885

“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.